3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C23H27N5O3S — CID 167224740

About 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167224740) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167224740
• Molecular Formula: C23H27N5O3S
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.18
• IUPAC Name: 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CO[C@H]1CCN(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)[C@H]1C
• InChI: InChI=1S/C23H27N5O3S/c1-12-4-6-16-19(24)20(32-23(16)25-12)21(29)26-15-10-14-5-7-18(27-22(14)31-11-15)28-9-8-17(30-3)13(28)2/h4-7,13,15,17H,8-11,24H2,1-3H3,(H,26,29)/t13-,15+,17-/m0/s1
• InChIKey: RJAZYXITLUMLKR-LXZKKBNFSA-N
• XLogP: 2.93
• TPSA: 102.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167224740) is 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@H]1CCN(c2ccc3c(n2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)[C@H]1C.

What is the InChIKey of 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is RJAZYXITLUMLKR-LXZKKBNFSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-12-4-6-16-19(24)20(32-23(16)25-12)21(29)26-15-10-14-5-7-18(27-22(14)31-11-15)28-9-8-17(30-3)13(28)2/h4-7,13,15,17H,8-11,24H2,1-3H3,(H,26,29)/t13-,15+,17-/m0/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(2S,3S)-3-methoxy-2-methylpyrrolidin-1-yl]-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167224740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).