N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C137H162F13N31O20 — CID 158971274

IUPACN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4cccnc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4ccncc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4cnccc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4nnccc43)CC2)C1=O.COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/3C28H34F2N6O4.C27H29F5N6O4.C26H31F2N7O4/c1-40-15-14-35-16-18(21-5-2-6-22(29)24(21)30)7-8-23(26(35)37)32-27(38)34-12-9-20(10-13-34)36-17-19-4-3-11-31-25(19)33-28(36)39;1-40-14-13-35-16-18(21-3-2-4-22(29)25(21)30)5-6-24(26(35)37)33-27(38)34-11-8-20(9-12-34)36-17-19-15-31-10-7-23(19)32-28(36)39;1-40-14-13-35-16-18(21-3-2-4-22(29)25(21)30)5-6-23(26(35)37)32-27(38)34-11-8-20(9-12-34)36-17-19-7-10-31-15-24(19)33-28(36)39;1-42-21-8-7-20-23(34-21)35-26(41)38(20)16-9-11-36(12-10-16)25(40)33-19-6-5-15(17-3-2-4-18(28)22(17)29)13-37(24(19)39)14-27(30,31)32;1-39-14-13-34-15-16(18-3-2-4-19(27)22(18)28)5-6-20(24(34)36)30-25(37)33-11-8-17(9-12-33)35-21-7-10-29-32-23(21)31-26(35)38/h2-6,11,18,20,23H,7-10,12-17H2,1H3,(H,32,38)(H,31,33,39);2-4,7,10,15,18,20,24H,5-6,8-9,11-14,16-17H2,1H3,(H,32,39)(H,33,38);2-4,7,10,15,18,20,23H,5-6,8-9,11-14,16-17H2,1H3,(H,32,38)(H,33,39);2-4,7-8,15-16,19H,5-6,9-14H2,1H3,(H,33,40)(H,34,35,41);2-4,7,10,16-17,20H,5-6,8-9,11-15H2,1H3,(H,30,37)(H,31,32,38)/t18-,23-;18-,24-;18-,23-;15-,19-;16-,20-/m11111/s1
InChIKeyJNVUINTXVADKNE-PSRZWGHRSA-N
MW2809.97 g/mol
LogP15.77
Rot. Bonds29

About N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (PubChem CID 158971274) has the molecular formula C137H162F13N31O20 and a molecular weight of 2809.97 g/mol. Its IUPAC name is N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
PubChem CID158971274
Molecular FormulaC137H162F13N31O20
Molecular Weight2809.97 g/mol
Exact Mass2808.24
IUPAC NameN-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SMILESCOCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4cccnc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4ccncc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4cnccc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4nnccc43)CC2)C1=O.COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/3C28H34F2N6O4.C27H29F5N6O4.C26H31F2N7O4/c1-40-15-14-35-16-18(21-5-2-6-22(29)24(21)30)7-8-23(26(35)37)32-27(38)34-12-9-20(10-13-34)36-17-19-4-3-11-31-25(19)33-28(36)39;1-40-14-13-35-16-18(21-3-2-4-22(29)25(21)30)5-6-24(26(35)37)33-27(38)34-11-8-20(9-12-34)36-17-19-15-31-10-7-23(19)32-28(36)39;1-40-14-13-35-16-18(21-3-2-4-22(29)25(21)30)5-6-23(26(35)37)32-27(38)34-11-8-20(9-12-34)36-17-19-7-10-31-15-24(19)33-28(36)39;1-42-21-8-7-20-23(34-21)35-26(41)38(20)16-9-11-36(12-10-16)25(40)33-19-6-5-15(17-3-2-4-18(28)22(17)29)13-37(24(19)39)14-27(30,31)32;1-39-14-13-34-15-16(18-3-2-4-19(27)22(18)28)5-6-20(24(34)36)30-25(37)33-11-8-17(9-12-33)35-21-7-10-29-32-23(21)31-26(35)38/h2-6,11,18,20,23H,7-10,12-17H2,1H3,(H,32,38)(H,31,33,39);2-4,7,10,15,18,20,24H,5-6,8-9,11-14,16-17H2,1H3,(H,32,39)(H,33,38);2-4,7,10,15,18,20,23H,5-6,8-9,11-14,16-17H2,1H3,(H,32,38)(H,33,39);2-4,7-8,15-16,19H,5-6,9-14H2,1H3,(H,33,40)(H,34,35,41);2-4,7,10,16-17,20H,5-6,8-9,11-15H2,1H3,(H,30,37)(H,31,32,38)/t18-,23-;18-,24-;18-,23-;15-,19-;16-,20-/m11111/s1
InChIKeyJNVUINTXVADKNE-PSRZWGHRSA-N
XLogP15.77
TPSA559.34 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002809.97
LogP ≤ 515.77
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-4-(6-fluoro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 158303756
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;4-(2-oxo-1H-imidazo[4,5-b]pyrazin-3-yl)-N-[(3R,6S)-2-oxo-6-phenyl-1-(2,2,2-trifluoroethyl)azepan-3-yl]piperidine-1-carboxamide
CID 160516478
N-cyano-N'-[(3R,6S)-6-(2,3-difluorophenyl)-1-ethyl-2-oxoazepan-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboximidamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-hydroxy-2-methylpropyl)-2-oxoazepan-3-yl]-4-(6-fluoro-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-methyl-2-oxoazepan-3-yl]-4-(4-hydroxy-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(4-hydroxy-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 160923043
2-[[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]amino]-6-[(2S)-1-methoxypropan-2-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one;2-[[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]amino]-6-[(2R)-1-methoxypropan-2-yl]-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 158457075
(2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide);bis(sulfur dioxide)
CID 159191966
(2S)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-methoxyphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4-methyl-5-oxo-1,4-diazepan-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 167664064

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide (CID 158971274) is N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4cccnc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4ccncc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(N3Cc4cnccc4NC3=O)CC2)C1=O.COCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(=O)N2CCC(n3c(=O)[nH]c4nnccc43)CC2)C1=O.COc1ccc2c(n1)[nH]c(=O)n2C1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
The InChIKey is JNVUINTXVADKNE-PSRZWGHRSA-N. The full InChI is InChI=1S/3C28H34F2N6O4.C27H29F5N6O4.C26H31F2N7O4/c1-40-15-14-35-16-18(21-5-2-6-22(29)24(21)30)7-8-23(26(35)37)32-27(38)34-12-9-20(10-13-34)36-17-19-4-3-11-31-25(19)33-28(36)39;1-40-14-13-35-16-18(21-3-2-4-22(29)25(21)30)5-6-24(26(35)37)33-27(38)34-11-8-20(9-12-34)36-17-19-15-31-10-7-23(19)32-28(36)39;1-40-14-13-35-16-18(21-3-2-4-22(29)25(21)30)5-6-23(26(35)37)32-27(38)34-11-8-20(9-12-34)36-17-19-7-10-31-15-24(19)33-28(36)39;1-42-21-8-7-20-23(34-21)35-26(41)38(20)16-9-11-36(12-10-16)25(40)33-19-6-5-15(17-3-2-4-18(28)22(17)29)13-37(24(19)39)14-27(30,31)32;1-39-14-13-34-15-16(18-3-2-4-19(27)22(18)28)5-6-20(24(34)36)30-25(37)33-11-8-17(9-12-33)35-21-7-10-29-32-23(21)31-26(35)38/h2-6,11,18,20,23H,7-10,12-17H2,1H3,(H,32,38)(H,31,33,39);2-4,7,10,15,18,20,24H,5-6,8-9,11-14,16-17H2,1H3,(H,32,39)(H,33,38);2-4,7,10,15,18,20,23H,5-6,8-9,11-14,16-17H2,1H3,(H,32,38)(H,33,39);2-4,7-8,15-16,19H,5-6,9-14H2,1H3,(H,33,40)(H,34,35,41);2-4,7,10,16-17,20H,5-6,8-9,11-15H2,1H3,(H,30,37)(H,31,32,38)/t18-,23-;18-,24-;18-,23-;15-,19-;16-,20-/m11111/s1.
What are the key properties of N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide?
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide has a molecular weight of 2809.97 g/mol, XLogP of 15.77, 29 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(6-oxo-7H-imidazo[4,5-c]pyridazin-5-yl)piperidine-1-carboxamide;N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(5-methoxy-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 158971274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).