1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C24H18ClF6N9O2 — CID 59530069

About 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530069) has the molecular formula C24H18ClF6N9O2 and a molecular weight of 613.91 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 59530069
• Molecular Formula: C24H18ClF6N9O2
• Molecular Weight: 613.91 g/mol
• Exact Mass: 613.12
• IUPAC Name: 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• SMILES: Cc1cc(F)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)C(F)(F)F)n2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C24H18ClF6N9O2/c1-11-7-12(26)8-15(20(41)33-13-4-5-13)18(11)34-21(42)17-9-14(36-40(17)19-16(25)3-2-6-32-19)10-39-37-22(35-38-39)23(27,28)24(29,30)31/h2-3,6-9,13H,4-5,10H2,1H3,(H,33,41)(H,34,42)
• InChIKey: JRYIOADJUMJUHC-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 132.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.91
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 59530069) is 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is Cc1cc(F)cc(C(=O)NC2CC2)c1NC(=O)c1cc(Cn2nnc(C(F)(F)C(F)(F)F)n2)nn1-c1ncccc1Cl.

What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is JRYIOADJUMJUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF6N9O2/c1-11-7-12(26)8-15(20(41)33-13-4-5-13)18(11)34-21(42)17-9-14(36-40(17)19-16(25)3-2-6-32-19)10-39-37-22(35-38-39)23(27,28)24(29,30)31/h2-3,6-9,13H,4-5,10H2,1H3,(H,33,41)(H,34,42).

What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 613.91 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-pyridinyl)-N-[2-(cyclopropylcarbamoyl)-4-fluoro-6-methylphenyl]-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).