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

C25H19ClF2N6O — CID 25093243

IUPAC4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2F)N=C(c2ccnc(C)c2)N1
InChIInChI=1S/C25H19ClF2N6O/c1-12-7-14(5-6-29-12)24-31-13(2)22(23(33-24)17-4-3-16(26)9-18(17)27)25(35)32-21-8-15-11-30-34-20(15)10-19(21)28/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
InChIKeyJPOJPLNOODEZLH-UHFFFAOYSA-N
MW492.92 g/mol
LogP5.20
Rot. Bonds4

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

4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 25093243) has the molecular formula C25H19ClF2N6O and a molecular weight of 492.92 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide
PubChem CID25093243
Molecular FormulaC25H19ClF2N6O
Molecular Weight492.92 g/mol
Exact Mass492.13
IUPAC Name4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2F)N=C(c2ccnc(C)c2)N1
InChIInChI=1S/C25H19ClF2N6O/c1-12-7-14(5-6-29-12)24-31-13(2)22(23(33-24)17-4-3-16(26)9-18(17)27)25(35)32-21-8-15-11-30-34-20(15)10-19(21)28/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
InChIKeyJPOJPLNOODEZLH-UHFFFAOYSA-N
XLogP5.20
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.92
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide (CID 25093243) is 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2F)N=C(c2ccnc(C)c2)N1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is JPOJPLNOODEZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N6O/c1-12-7-14(5-6-29-12)24-31-13(2)22(23(33-24)17-4-3-16(26)9-18(17)27)25(35)32-21-8-15-11-30-34-20(15)10-19(21)28/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide?
4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 492.92 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methyl-4-pyridinyl)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 25093243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).