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

C24H17Cl2FN6O — CID 11712973

IUPAC4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2)N=C(c2ccnc(Cl)c2)N1
InChIInChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-19-8-15-11-29-33-18(15)10-17(19)27)22(13-2-4-16(25)5-3-13)32-23(30-12)14-6-7-28-20(26)9-14/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyWBFNUMZIEJLVNL-UHFFFAOYSA-N
MW495.35 g/mol
LogP5.41
Rot. Bonds4

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

4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11712973) has the molecular formula C24H17Cl2FN6O and a molecular weight of 495.35 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11712973
Molecular FormulaC24H17Cl2FN6O
Molecular Weight495.35 g/mol
Exact Mass494.08
IUPAC Name4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2)N=C(c2ccnc(Cl)c2)N1
InChIInChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-19-8-15-11-29-33-18(15)10-17(19)27)22(13-2-4-16(25)5-3-13)32-23(30-12)14-6-7-28-20(26)9-14/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyWBFNUMZIEJLVNL-UHFFFAOYSA-N
XLogP5.41
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.35
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 11712973) is 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2)N=C(c2ccnc(Cl)c2)N1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is WBFNUMZIEJLVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN6O/c1-12-21(24(34)31-19-8-15-11-29-33-18(15)10-17(19)27)22(13-2-4-16(25)5-3-13)32-23(30-12)14-6-7-28-20(26)9-14/h2-11,22H,1H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 495.35 g/mol, XLogP of 5.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-chloro-4-pyridinyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11712973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).