3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

C122H139F8N27O6S3 — CID 167698548

About 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide

3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 167698548) has the molecular formula C122H139F8N27O6S3 and a molecular weight of 2327.82 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 167698548
• Molecular Formula: C122H139F8N27O6S3
• Molecular Weight: 2327.82 g/mol
• Exact Mass: 2326.04
• IUPAC Name: 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@H](C(F)F)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5C[C@H](C(F)F)[C@@H](N)C5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H]6CCC[C@@H](C5)C6(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H]6CCC[C@@H](C5)C6(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@H](N)C5)ccc4C3)sc2n1
• InChI: InChI=1S/2C26H29F2N5OS.2C24H28F2N6O.C22H25N5O2S/c2*1-14-5-8-19-22(29)23(35-25(19)30-14)24(34)31-18-7-9-20-15(11-18)6-10-21(32-20)33-12-16-3-2-4-17(13-33)26(16,27)28;2*1-2-31-8-7-15-9-16(11-28-23(15)31)24(33)29-17-4-5-20-14(10-17)3-6-21(30-20)32-12-18(22(25)26)19(27)13-32;1-12-2-5-17-19(24)20(30-22(17)25-12)21(28)26-15-8-13-3-4-16(9-18(13)29-11-15)27-7-6-14(23)10-27/h2*5-6,8,10,16-18H,2-4,7,9,11-13,29H2,1H3,(H,31,34);2*3,6-9,11,17-19,22H,2,4-5,10,12-13,27H2,1H3,(H,29,33);2-5,9,14-15H,6-8,10-11,23-24H2,1H3,(H,26,28)/t2*16-,17+,18-;17-,18+,19+;17-,18-,19-;14-,15+/m00000/s1
• InChIKey: YAGCDJHOMIURDW-IVOMNHPCSA-N
• XLogP: 17.47
• TPSA: 452.92 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2327.82
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 167698548) is 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5C[C@@H](N)[C@H](C(F)F)C5)ccc4C3)cnc21.CCn1ccc2cc(C(=O)N[C@H]3CCc4nc(N5C[C@H](C(F)F)[C@@H](N)C5)ccc4C3)cnc21.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H]6CCC[C@@H](C5)C6(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H]6CCC[C@@H](C5)C6(F)F)ccc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5CC[C@H](N)C5)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is YAGCDJHOMIURDW-IVOMNHPCSA-N. The full InChI is InChI=1S/2C26H29F2N5OS.2C24H28F2N6O.C22H25N5O2S/c2*1-14-5-8-19-22(29)23(35-25(19)30-14)24(34)31-18-7-9-20-15(11-18)6-10-21(32-20)33-12-16-3-2-4-17(13-33)26(16,27)28;2*1-2-31-8-7-15-9-16(11-28-23(15)31)24(33)29-17-4-5-20-14(10-17)3-6-21(30-20)32-12-18(22(25)26)19(27)13-32;1-12-2-5-17-19(24)20(30-22(17)25-12)21(28)26-15-8-13-3-4-16(9-18(13)29-11-15)27-7-6-14(23)10-27/h2*5-6,8,10,16-18H,2-4,7,9,11-13,29H2,1H3,(H,31,34);2*3,6-9,11,17-19,22H,2,4-5,10,12-13,27H2,1H3,(H,29,33);2-5,9,14-15H,6-8,10-11,23-24H2,1H3,(H,26,28)/t2*16-,17+,18-;17-,18+,19+;17-,18-,19-;14-,15+/m00000/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide?

3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2327.82 g/mol, XLogP of 17.47, 19 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3S)-3-aminopyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;bis(3-amino-N-[(6S)-2-[(1R,5S)-9,9-difluoro-3-azabicyclo[3.3.1]nonan-3-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);N-[(6S)-2-[(3R,4S)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(difluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 167698548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).