N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

C25H30N6OS — CID 172540365

About N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 172540365) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 172540365
• Molecular Formula: C25H30N6OS
• Molecular Weight: 462.62 g/mol
• Exact Mass: 462.22
• IUPAC Name: N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC[C@H]6CNCC[C@H]65)ccc4C3)sc2n1
• InChI: InChI=1S/C25H30N6OS/c1-14-2-5-18-22(26)23(33-25(18)28-14)24(32)29-17-4-6-19-15(12-17)3-7-21(30-19)31-11-9-16-13-27-10-8-20(16)31/h2-3,5,7,16-17,20,27H,4,6,8-13,26H2,1H3,(H,29,32)/t16-,17-,20+/m0/s1
• InChIKey: NBKKVGVERBXJTQ-ABSDTBQOSA-N
• XLogP: 3.06
• TPSA: 96.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.62
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 172540365) is N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CC[C@H]6CNCC[C@H]65)ccc4C3)sc2n1.

What is the InChIKey of N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is NBKKVGVERBXJTQ-ABSDTBQOSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-14-2-5-18-22(26)23(33-25(18)28-14)24(32)29-17-4-6-19-15(12-17)3-7-21(30-19)31-11-9-16-13-27-10-8-20(16)31/h2-3,5,7,16-17,20,27H,4,6,8-13,26H2,1H3,(H,29,32)/t16-,17-,20+/m0/s1.

What are the key properties of N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6S)-2-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 172540365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).