(3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

C32H30F3N5O5S — CID 169240984

About (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 169240984) has the molecular formula C32H30F3N5O5S and a molecular weight of 653.68 g/mol. Its IUPAC name is (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 169240984
• Molecular Formula: C32H30F3N5O5S
• Molecular Weight: 653.68 g/mol
• Exact Mass: 653.19
• IUPAC Name: (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@](C=O)(c2cc3c(c(-c4ccc(C(F)(F)F)s4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cn(C3CC3)nc12
• InChI: InChI=1S/C32H30F3N5O5S/c1-30(29(36)43)15-45-27-20(30)11-23(38-26(27)22-7-8-24(46-22)32(33,34)35)31(14-41,18-3-4-18)13-37-28(42)16-9-17-12-40(19-5-6-19)39-25(17)21(10-16)44-2/h7-12,14,18-19H,3-6,13,15H2,1-2H3,(H2,36,43)(H,37,42)/t30-,31+/m0/s1
• InChIKey: CTIKENXDQSVTQT-IOWSJCHKSA-N
• XLogP: 4.93
• TPSA: 138.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	653.68
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide (CID 169240984) is (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@](C=O)(c2cc3c(c(-c4ccc(C(F)(F)F)s4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cn(C3CC3)nc12.

What is the InChIKey of (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is CTIKENXDQSVTQT-IOWSJCHKSA-N. The full InChI is InChI=1S/C32H30F3N5O5S/c1-30(29(36)43)15-45-27-20(30)11-23(38-26(27)22-7-8-24(46-22)32(33,34)35)31(14-41,18-3-4-18)13-37-28(42)16-9-17-12-40(19-5-6-19)39-25(17)21(10-16)44-2/h7-12,14,18-19H,3-6,13,15H2,1-2H3,(H2,36,43)(H,37,42)/t30-,31+/m0/s1.

What are the key properties of (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 653.68 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-2-cyclopropyl-1-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-3-oxopropan-2-yl]-3-methyl-7-[5-(trifluoromethyl)thiophen-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 169240984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).