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

C25H29N5O3S — CID 166493044

About 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-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-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 166493044) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-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-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 166493044
• Molecular Formula: C25H29N5O3S
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.20
• IUPAC Name: 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-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](OC6CC6)[C@@H](N)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C25H29N5O3S/c1-13-2-7-18-22(27)23(34-25(18)28-13)24(31)29-15-8-14-3-4-16(9-20(14)32-12-15)30-10-19(26)21(11-30)33-17-5-6-17/h2-4,7,9,15,17,19,21H,5-6,8,10-12,26-27H2,1H3,(H,29,31)/t15-,19+,21+/m1/s1
• InChIKey: YLYKSIAKBCKLLA-JJXUHFIVSA-N
• XLogP: 2.62
• TPSA: 115.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	2.62
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-cyclopropyloxypyrrolidin-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-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 166493044) is 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-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-cyclopropyloxypyrrolidin-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-cyclopropyloxypyrrolidin-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](OC6CC6)[C@@H](N)C5)ccc4C3)sc2n1.

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

The InChIKey is YLYKSIAKBCKLLA-JJXUHFIVSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-13-2-7-18-22(27)23(34-25(18)28-13)24(31)29-15-8-14-3-4-16(9-20(14)32-12-15)30-10-19(26)21(11-30)33-17-5-6-17/h2-4,7,9,15,17,19,21H,5-6,8,10-12,26-27H2,1H3,(H,29,31)/t15-,19+,21+/m1/s1.

What are the key properties of 3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-cyclopropyloxypyrrolidin-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-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 2.62, 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-cyclopropyloxypyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 166493044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).