N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

C24H15Cl3F2N6O — CID 11663957

About N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide

N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11663957) has the molecular formula C24H15Cl3F2N6O and a molecular weight of 547.78 g/mol. Its IUPAC name is N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
• PubChem CID: 11663957
• Molecular Formula: C24H15Cl3F2N6O
• Molecular Weight: 547.78 g/mol
• Exact Mass: 546.03
• IUPAC Name: N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2cc3c(Cl)[nH]nc3cc2F)C(c2ccc(Cl)cc2F)N=C(c2ccnc(Cl)c2)N1
• InChI: InChI=1S/C24H15Cl3F2N6O/c1-10-20(24(36)32-18-8-14-17(9-16(18)29)34-35-22(14)27)21(13-3-2-12(25)7-15(13)28)33-23(31-10)11-4-5-30-19(26)6-11/h2-9,21H,1H3,(H,31,33)(H,32,36)(H,34,35)
• InChIKey: IBTJXCFOZMTEEH-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 95.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.78
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

The IUPAC name of N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 11663957) is N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

What is the SMILES notation for N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

The canonical SMILES for N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cc3c(Cl)[nH]nc3cc2F)C(c2ccc(Cl)cc2F)N=C(c2ccnc(Cl)c2)N1.

What is the InChIKey of N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

The InChIKey is IBTJXCFOZMTEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3F2N6O/c1-10-20(24(36)32-18-8-14-17(9-16(18)29)34-35-22(14)27)21(13-3-2-12(25)7-15(13)28)33-23(31-10)11-4-5-30-19(26)6-11/h2-9,21H,1H3,(H,31,33)(H,32,36)(H,34,35).

What are the key properties of N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?

N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 547.78 g/mol, XLogP of 6.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-6-fluoro-2H-indazol-5-yl)-4-(4-chloro-2-fluorophenyl)-2-(2-chloro-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11663957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).