3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C26H31N5O3S — CID 166492950

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

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 166492950) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 166492950
• Molecular Formula: C26H31N5O3S
• Molecular Weight: 493.63 g/mol
• Exact Mass: 493.21
• IUPAC Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](OC6CCC6)[C@@H](N)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C26H31N5O3S/c1-14-5-8-19-23(28)24(35-26(19)29-14)25(32)30-16-9-15-6-7-17(10-21(15)33-13-16)31-11-20(27)22(12-31)34-18-3-2-4-18/h5-8,10,16,18,20,22H,2-4,9,11-13,27-28H2,1H3,(H,30,32)/t16-,20+,22+/m1/s1
• InChIKey: CBJZWYYTFWUKFX-BUVFEPMLSA-N
• XLogP: 3.01
• TPSA: 115.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.63
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 166492950) is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3COc4cc(N5C[C@H](OC6CCC6)[C@@H](N)C5)ccc4C3)sc2n1.

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

The InChIKey is CBJZWYYTFWUKFX-BUVFEPMLSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-14-5-8-19-23(28)24(35-26(19)29-14)25(32)30-16-9-15-6-7-17(10-21(15)33-13-16)31-11-20(27)22(12-31)34-18-3-2-4-18/h5-8,10,16,18,20,22H,2-4,9,11-13,27-28H2,1H3,(H,30,32)/t16-,20+,22+/m1/s1.

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

3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclobutyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 166492950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).