3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H30N6O2S — CID 151045427

About 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 151045427) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 151045427
• Molecular Formula: C24H30N6O2S
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.22
• IUPAC Name: 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COC[C@@]1(N)CCN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1
• InChI: InChI=1S/C24H30N6O2S/c1-14-3-6-17-20(25)21(33-23(17)27-14)22(31)28-16-5-7-18-15(11-16)4-8-19(29-18)30-10-9-24(26,12-30)13-32-2/h3-4,6,8,16H,5,7,9-13,25-26H2,1-2H3,(H,28,31)/t16-,24+/m0/s1
• InChIKey: MCZAZBOQMPYGRH-UPCLLVRISA-N
• XLogP: 2.42
• TPSA: 119.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 151045427) is 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COC[C@@]1(N)CCN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C1.

What is the InChIKey of 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is MCZAZBOQMPYGRH-UPCLLVRISA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-14-3-6-17-20(25)21(33-23(17)27-14)22(31)28-16-5-7-18-15(11-16)4-8-19(29-18)30-10-9-24(26,12-30)13-32-2/h3-4,6,8,16H,5,7,9-13,25-26H2,1-2H3,(H,28,31)/t16-,24+/m0/s1.

What are the key properties of 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 151045427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).