N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile

C99H112F5N25O9 — CID 161416702

IUPACN-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
SMILESCC[C@@H](C)NC(=O)c1cc(N2CCC(C3=CCc4ncccc43)CC2)nc(OC)n1.Cc1ccc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)CC4CCC4)n3)CC2)nc1C(N)=O.N#CC1(COc2nc(C(=O)N3CC(F)(F)C3)cc(N3CCC(C4=NCc5ncccc54)CC3)n2)CC1.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(C3=NCc4ncccc43)CC2)n1
InChIInChI=1S/C26H33FN6O3.2C25H25F2N7O2.C23H29N5O2/c1-15-5-6-20(29-22(15)23(28)35)18-7-9-33(10-8-18)25-30-24(21(34)13-16-3-2-4-16)31-26(32-25)36-14-17-11-19(27)12-17;26-25(27)13-34(14-25)22(35)18-10-20(32-23(31-18)36-15-24(12-28)5-6-24)33-8-3-16(4-9-33)21-17-2-1-7-29-19(17)11-30-21;26-25(27)13-34(14-25)23(35)19-9-21(32-24(31-19)36-12-17-8-16(17)10-28)33-6-3-15(4-7-33)22-18-2-1-5-29-20(18)11-30-22;1-4-15(2)25-22(29)20-14-21(27-23(26-20)30-3)28-12-9-16(10-13-28)17-7-8-19-18(17)6-5-11-24-19/h5-6,16-19H,2-4,7-14H2,1H3,(H2,28,35);1-2,7,10,16H,3-6,8-9,11,13-15H2;1-2,5,9,15-17H,3-4,6-8,11-14H2;5-7,11,14-16H,4,8-10,12-13H2,1-3H3,(H,25,29)/t;;16-,17+;15-/m..01/s1
InChIKeyVWEGOYNFRRTFDN-SHDMIIGBSA-N
MW1891.14 g/mol
LogP12.41
Rot. Bonds27

About N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile

N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 161416702) has the molecular formula C99H112F5N25O9 and a molecular weight of 1891.14 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
PubChem CID161416702
Molecular FormulaC99H112F5N25O9
Molecular Weight1891.14 g/mol
Exact Mass1889.90
IUPAC NameN-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile
SMILESCC[C@@H](C)NC(=O)c1cc(N2CCC(C3=CCc4ncccc43)CC2)nc(OC)n1.Cc1ccc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)CC4CCC4)n3)CC2)nc1C(N)=O.N#CC1(COc2nc(C(=O)N3CC(F)(F)C3)cc(N3CCC(C4=NCc5ncccc54)CC3)n2)CC1.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(C3=NCc4ncccc43)CC2)n1
InChIInChI=1S/C26H33FN6O3.2C25H25F2N7O2.C23H29N5O2/c1-15-5-6-20(29-22(15)23(28)35)18-7-9-33(10-8-18)25-30-24(21(34)13-16-3-2-4-16)31-26(32-25)36-14-17-11-19(27)12-17;26-25(27)13-34(14-25)22(35)18-10-20(32-23(31-18)36-15-24(12-28)5-6-24)33-8-3-16(4-9-33)21-17-2-1-7-29-19(17)11-30-21;26-25(27)13-34(14-25)23(35)19-9-21(32-24(31-19)36-12-17-8-16(17)10-28)33-6-3-15(4-7-33)22-18-2-1-5-29-20(18)11-30-22;1-4-15(2)25-22(29)20-14-21(27-23(26-20)30-3)28-12-9-16(10-13-28)17-7-8-19-18(17)6-5-11-24-19/h5-6,16-19H,2-4,7-14H2,1H3,(H2,28,35);1-2,7,10,16H,3-6,8-9,11,13-15H2;1-2,5,9,15-17H,3-4,6-8,11-14H2;5-7,11,14-16H,4,8-10,12-13H2,1-3H3,(H,25,29)/t;;16-,17+;15-/m..01/s1
InChIKeyVWEGOYNFRRTFDN-SHDMIIGBSA-N
XLogP12.41
TPSA419.63 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001891.14
LogP ≤ 512.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Analyze N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

3-amino-6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3,3-dimethylazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;3-amino-6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(2-methylazetidine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;3-amino-6-[1-[6-(3,3-difluoropyrrolidine-1-carbonyl)-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;3-amino-6-[1-[6-[(3S,4S)-3,4-difluoropyrrolidine-1-carbonyl]-2-[[(2R)-oxolan-2-yl]methoxy]pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 157523838
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide;cis-(1R,2S)-2-[[4-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-[(3R,4S)-3-fluoro-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;cis-(1R,2S)-2-[[4-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-6-[(3S,4R)-3-fluoro-4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;N-(2-methoxyethyl)-4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide
CID 157848043
N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 158092715
6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-N-methyl-2-[[(2R)-oxolan-2-yl]methoxy]-N-propan-2-ylpyrimidine-4-carboxamide;6-[1-[2-[(1-cyanocyclopropyl)methoxy]-6-(3-oxopiperazine-1-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2-carboxamide;4-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2-carboxamide
CID 159200108
N-[(3,3-difluorocyclobutyl)methyl]-4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]-1,3,5-triazine-2-carboxamide;N-(2-methoxyethyl)-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-2-[[(2R)-oxolan-2-yl]methoxy]-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidine-4-carboxamide
CID 159477389
3-[5-Cyano-4-(cyclopropylmethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]-1-methylurea;3-[5-cyano-4-[(3,3-difluorocyclobutyl)methyl]-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]-1-methylurea;3-[5-cyano-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]-1-methylurea
CID 159938874
N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 162102035

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile (CID 161416702) is N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile is CC[C@@H](C)NC(=O)c1cc(N2CCC(C3=CCc4ncccc43)CC2)nc(OC)n1.Cc1ccc(C2CCN(c3nc(OCC4CC(F)C4)nc(C(=O)CC4CCC4)n3)CC2)nc1C(N)=O.N#CC1(COc2nc(C(=O)N3CC(F)(F)C3)cc(N3CCC(C4=NCc5ncccc54)CC3)n2)CC1.N#C[C@@H]1C[C@@H]1COc1nc(C(=O)N2CC(F)(F)C2)cc(N2CCC(C3=NCc4ncccc43)CC2)n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is VWEGOYNFRRTFDN-SHDMIIGBSA-N. The full InChI is InChI=1S/C26H33FN6O3.2C25H25F2N7O2.C23H29N5O2/c1-15-5-6-20(29-22(15)23(28)35)18-7-9-33(10-8-18)25-30-24(21(34)13-16-3-2-4-16)31-26(32-25)36-14-17-11-19(27)12-17;26-25(27)13-34(14-25)22(35)18-10-20(32-23(31-18)36-15-24(12-28)5-6-24)33-8-3-16(4-9-33)21-17-2-1-7-29-19(17)11-30-21;26-25(27)13-34(14-25)23(35)19-9-21(32-24(31-19)36-12-17-8-16(17)10-28)33-6-3-15(4-7-33)22-18-2-1-5-29-20(18)11-30-22;1-4-15(2)25-22(29)20-14-21(27-23(26-20)30-3)28-12-9-16(10-13-28)17-7-8-19-18(17)6-5-11-24-19/h5-6,16-19H,2-4,7-14H2,1H3,(H2,28,35);1-2,7,10,16H,3-6,8-9,11,13-15H2;1-2,5,9,15-17H,3-4,6-8,11-14H2;5-7,11,14-16H,4,8-10,12-13H2,1-3H3,(H,25,29)/t;;16-,17+;15-/m..01/s1.
What are the key properties of N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile?
N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 1891.14 g/mol, XLogP of 12.41, 27 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-methoxypyrimidine-4-carboxamide;cis-(1R,2S)-2-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile;6-[1-[4-(2-cyclobutylacetyl)-6-[(3-fluorocyclobutyl)methoxy]-1,3,5-triazin-2-yl]piperidin-4-yl]-3-methylpyridine-2-carboxamide;1-[[4-(3,3-difluoroazetidine-1-carbonyl)-6-[4-(7H-pyrrolo[3,4-b]pyridin-5-yl)piperidin-1-yl]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 161416702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).