1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

C26H24ClF3N10O3 — CID 59530325

About 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (PubChem CID 59530325) has the molecular formula C26H24ClF3N10O3 and a molecular weight of 616.99 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• PubChem CID: 59530325
• Molecular Formula: C26H24ClF3N10O3
• Molecular Weight: 616.99 g/mol
• Exact Mass: 616.17
• IUPAC Name: 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
• SMILES: COCC(C)(C)NC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl
• InChI: InChI=1S/C26H24ClF3N10O3/c1-14-8-15(11-31)9-17(22(41)34-25(2,3)13-43-4)20(14)33-23(42)19-10-16(12-39-37-24(35-38-39)26(28,29)30)36-40(19)21-18(27)6-5-7-32-21/h5-10H,12-13H2,1-4H3,(H,33,42)(H,34,41)
• InChIKey: PDWMHLUUFNUFLD-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 165.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.99
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide (CID 59530325) is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is COCC(C)(C)NC(=O)c1cc(C#N)cc(C)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl.

What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

The InChIKey is PDWMHLUUFNUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N10O3/c1-14-8-15(11-31)9-17(22(41)34-25(2,3)13-43-4)20(14)33-23(42)19-10-16(12-39-37-24(35-38-39)26(28,29)30)36-40(19)21-18(27)6-5-7-32-21/h5-10H,12-13H2,1-4H3,(H,33,42)(H,34,41).

What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide?

1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide has a molecular weight of 616.99 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-[(1-methoxy-2-methylpropan-2-yl)carbamoyl]-6-methylphenyl]-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 59530325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).