N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C123H144N22O15S5 — CID 167540857

IUPACN-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOC[C@@H]1CCCCN1c1ccc2c(c1)OC[C@H](NC(=O)c1sc3nc(C)ccc3c1N)C2.COC[C@H]1CCCCN1c1ccc2c(c1)OC[C@H](NC(=O)c1sc3nc(C)ccc3c1N)C2.COC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CCN1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCO[C@@H]6C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6OCCN[C@@H]6C5)ccc4C3)sc2n1
InChIInChI=1S/C25H28N4O3S.2C25H30N4O3S.C24H27N5O3S.C24H29N5O3S/c1-14-4-7-19-22(26)23(33-25(19)27-14)24(30)28-17-9-15-5-6-18(10-20(15)32-13-17)29-11-16-3-2-8-31-21(16)12-29;2*1-15-6-9-20-22(26)23(33-25(20)27-15)24(30)28-17-11-16-7-8-18(12-21(16)32-13-17)29-10-4-3-5-19(29)14-31-2;1-13-2-5-17-21(25)22(33-24(17)27-13)23(30)28-15-8-14-3-4-16(9-19(14)32-12-15)29-10-18-20(11-29)31-7-6-26-18;1-14-3-6-19-21(25)22(33-24(19)27-14)23(30)28-16-9-15-4-5-18(10-20(15)32-13-16)29-8-7-26-17(11-29)12-31-2/h4-7,10,16-17,21H,2-3,8-9,11-13,26H2,1H3,(H,28,30);2*6-9,12,17,19H,3-5,10-11,13-14,26H2,1-2H3,(H,28,30);2-5,9,15,18,20,26H,6-8,10-12,25H2,1H3,(H,28,30);3-6,10,16-17,26H,7-9,11-13,25H2,1-2H3,(H,28,30)/t16-,17+,21+;17-,19+;17-,19-;15-,18-,20+;16-,17-/m01111/s1
InChIKeyBECOFISIJJEGPA-DHCTXBMGSA-N
MW2330.98 g/mol
LogP15.83
Rot. Bonds21

About N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167540857) has the molecular formula C123H144N22O15S5 and a molecular weight of 2330.98 g/mol. Its IUPAC name is N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167540857
Molecular FormulaC123H144N22O15S5
Molecular Weight2330.98 g/mol
Exact Mass2328.98
IUPAC NameN-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOC[C@@H]1CCCCN1c1ccc2c(c1)OC[C@H](NC(=O)c1sc3nc(C)ccc3c1N)C2.COC[C@H]1CCCCN1c1ccc2c(c1)OC[C@H](NC(=O)c1sc3nc(C)ccc3c1N)C2.COC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CCN1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCO[C@@H]6C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6OCCN[C@@H]6C5)ccc4C3)sc2n1
InChIInChI=1S/C25H28N4O3S.2C25H30N4O3S.C24H27N5O3S.C24H29N5O3S/c1-14-4-7-19-22(26)23(33-25(19)27-14)24(30)28-17-9-15-5-6-18(10-20(15)32-13-17)29-11-16-3-2-8-31-21(16)12-29;2*1-15-6-9-20-22(26)23(33-25(20)27-15)24(30)28-17-11-16-7-8-18(12-21(16)32-13-17)29-10-4-3-5-19(29)14-31-2;1-13-2-5-17-21(25)22(33-24(17)27-13)23(30)28-15-8-14-3-4-16(9-19(14)32-12-15)29-10-18-20(11-29)31-7-6-26-18;1-14-3-6-19-21(25)22(33-24(19)27-14)23(30)28-16-9-15-4-5-18(10-20(15)32-13-16)29-8-7-26-17(11-29)12-31-2/h4-7,10,16-17,21H,2-3,8-9,11-13,26H2,1H3,(H,28,30);2*6-9,12,17,19H,3-5,10-11,13-14,26H2,1-2H3,(H,28,30);2-5,9,15,18,20,26H,6-8,10-12,25H2,1H3,(H,28,30);3-6,10,16-17,26H,7-9,11-13,25H2,1-2H3,(H,28,30)/t16-,17+,21+;17-,19+;17-,19-;15-,18-,20+;16-,17-/m01111/s1
InChIKeyBECOFISIJJEGPA-DHCTXBMGSA-N
XLogP15.83
TPSA472.61 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002330.98
LogP ≤ 515.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167540857) is N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COC[C@@H]1CCCCN1c1ccc2c(c1)OC[C@H](NC(=O)c1sc3nc(C)ccc3c1N)C2.COC[C@H]1CCCCN1c1ccc2c(c1)OC[C@H](NC(=O)c1sc3nc(C)ccc3c1N)C2.COC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)CCN1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6CCCO[C@@H]6C5)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@@H]6OCCN[C@@H]6C5)ccc4C3)sc2n1.
What is the InChIKey of N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is BECOFISIJJEGPA-DHCTXBMGSA-N. The full InChI is InChI=1S/C25H28N4O3S.2C25H30N4O3S.C24H27N5O3S.C24H29N5O3S/c1-14-4-7-19-22(26)23(33-25(19)27-14)24(30)28-17-9-15-5-6-18(10-20(15)32-13-17)29-11-16-3-2-8-31-21(16)12-29;2*1-15-6-9-20-22(26)23(33-25(20)27-15)24(30)28-17-11-16-7-8-18(12-21(16)32-13-17)29-10-4-3-5-19(29)14-31-2;1-13-2-5-17-21(25)22(33-24(17)27-13)23(30)28-15-8-14-3-4-16(9-19(14)32-12-15)29-10-18-20(11-29)31-7-6-26-18;1-14-3-6-19-21(25)22(33-24(19)27-14)23(30)28-16-9-15-4-5-18(10-20(15)32-13-16)29-8-7-26-17(11-29)12-31-2/h4-7,10,16-17,21H,2-3,8-9,11-13,26H2,1H3,(H,28,30);2*6-9,12,17,19H,3-5,10-11,13-14,26H2,1-2H3,(H,28,30);2-5,9,15,18,20,26H,6-8,10-12,25H2,1H3,(H,28,30);3-6,10,16-17,26H,7-9,11-13,25H2,1-2H3,(H,28,30)/t16-,17+,21+;17-,19+;17-,19-;15-,18-,20+;16-,17-/m01111/s1.
What are the key properties of N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2330.98 g/mol, XLogP of 15.83, 21 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(3R)-7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3R)-3-(methoxymethyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R)-2-(methoxymethyl)piperidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167540857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).