N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C27H32N6O3S — CID 88872135

About N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 88872135) has the molecular formula C27H32N6O3S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 88872135
• Molecular Formula: C27H32N6O3S
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.23
• IUPAC Name: N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(CC4(C=O)CC4)C[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)cc2c1
• InChI: InChI=1S/C27H32N6O3S/c1-16-3-4-18-17(9-16)10-20(28-18)24(35)29-21-11-33(14-27(15-34)6-7-27)12-22(21)30-25(36)26-31-19-5-8-32(2)13-23(19)37-26/h3-4,9-10,15,21-22,28H,5-8,11-14H2,1-2H3,(H,29,35)(H,30,36)/t21-,22-/m1/s1
• InChIKey: PLAVOLNWLHYAPT-FGZHOGPDSA-N
• XLogP: 2.11
• TPSA: 110.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 88872135) is N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@@H]3CN(CC4(C=O)CC4)C[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)cc2c1.

What is the InChIKey of N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is PLAVOLNWLHYAPT-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H32N6O3S/c1-16-3-4-18-17(9-16)10-20(28-18)24(35)29-21-11-33(14-27(15-34)6-7-27)12-22(21)30-25(36)26-31-19-5-8-32(2)13-23(19)37-26/h3-4,9-10,15,21-22,28H,5-8,11-14H2,1-2H3,(H,29,35)(H,30,36)/t21-,22-/m1/s1.

What are the key properties of N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4R)-1-[(1-formylcyclopropyl)methyl]-4-[(5-methyl-1H-indole-2-carbonyl)amino]pyrrolidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 88872135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).