2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide

C34H30Cl2F2N4O3 — CID 169264767

About 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide

2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide (PubChem CID 169264767) has the molecular formula C34H30Cl2F2N4O3 and a molecular weight of 651.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide
• PubChem CID: 169264767
• Molecular Formula: C34H30Cl2F2N4O3
• Molecular Weight: 651.54 g/mol
• Exact Mass: 650.17
• IUPAC Name: 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide
• SMILES: COc1cc(C(=O)NC[C@@H](c2ccccc2)c2cc(C(C)(C)O)c(F)c(-c3ccc(F)c(Cl)c3Cl)n2)cc2cn(C3CC3)nc12
• InChI: InChI=1S/C34H30Cl2F2N4O3/c1-34(2,44)24-15-26(40-32(30(24)38)22-11-12-25(37)29(36)28(22)35)23(18-7-5-4-6-8-18)16-39-33(43)19-13-20-17-42(21-9-10-21)41-31(20)27(14-19)45-3/h4-8,11-15,17,21,23,44H,9-10,16H2,1-3H3,(H,39,43)/t23-/m0/s1
• InChIKey: GOZRJGAZSADZPZ-QHCPKHFHSA-N
• XLogP: 7.82
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.54
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide?

The IUPAC name of 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide (CID 169264767) is 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide.

What is the SMILES notation for 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide?

The canonical SMILES for 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide is COc1cc(C(=O)NC[C@@H](c2ccccc2)c2cc(C(C)(C)O)c(F)c(-c3ccc(F)c(Cl)c3Cl)n2)cc2cn(C3CC3)nc12.

What is the InChIKey of 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide?

The InChIKey is GOZRJGAZSADZPZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C34H30Cl2F2N4O3/c1-34(2,44)24-15-26(40-32(30(24)38)22-11-12-25(37)29(36)28(22)35)23(18-7-5-4-6-8-18)16-39-33(43)19-13-20-17-42(21-9-10-21)41-31(20)27(14-19)45-3/h4-8,11-15,17,21,23,44H,9-10,16H2,1-3H3,(H,39,43)/t23-/m0/s1.

What are the key properties of 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide?

2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide has a molecular weight of 651.54 g/mol, XLogP of 7.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(2R)-2-[6-(2,3-dichloro-4-fluorophenyl)-5-fluoro-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-phenylethyl]-7-methoxyindazole-5-carboxamide is sourced from PubChem (CID 169264767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).