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

C25H19ClF2N6O2 — CID 25093241

IUPAC4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C(C)N2)ccn1
InChIInChI=1S/C25H19ClF2N6O2/c1-12-22(25(35)32-20-7-14-11-30-34-19(14)10-18(20)28)23(16-4-3-15(26)9-17(16)27)33-24(31-12)13-5-6-29-21(8-13)36-2/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
InChIKeyTYHGSJHFMYWTNJ-UHFFFAOYSA-N
MW508.92 g/mol
LogP4.90
Rot. Bonds5

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

4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 25093241) has the molecular formula C25H19ClF2N6O2 and a molecular weight of 508.92 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID25093241
Molecular FormulaC25H19ClF2N6O2
Molecular Weight508.92 g/mol
Exact Mass508.12
IUPAC Name4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
SMILESCOc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C(C)N2)ccn1
InChIInChI=1S/C25H19ClF2N6O2/c1-12-22(25(35)32-20-7-14-11-30-34-19(14)10-18(20)28)23(16-4-3-15(26)9-17(16)27)33-24(31-12)13-5-6-29-21(8-13)36-2/h3-11,23H,1-2H3,(H,30,34)(H,31,33)(H,32,35)
InChIKeyTYHGSJHFMYWTNJ-UHFFFAOYSA-N
XLogP4.90
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.92
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11548023
4-(4-Fluorophenyl)-N-1H-indazol-5-yl-6-methyl-2-[4-(methyloxy)phenyl]-1,4-dihydro-5-pyrimidinecarboxamide
CID 11590594
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(4-methoxyphenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11641672
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(6-methoxypyridin-3-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11641686
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-6-methyl-N-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11649154
4-(4-chloro-2-fluorophenyl)-2-(2-chloropyridin-4-yl)-N-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11656187
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-(2-methoxypyridin-4-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11663187
4-(4-chloro-2-fluorophenyl)-2-(2-ethoxypyridin-4-yl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 25093242
4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-(2-methylpyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 25093243
2-chloro-6-methoxy-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyridine-4-carboxamide
CID 22978067
4-(1,3-benzodioxol-5-yl)-N-(6-fluoro-1H-indazol-5-yl)-2-(6-methoxy-3-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11504267
4-(4-chloro-2-fluorophenyl)-N-(1H-indazol-5-yl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1,4-dihydropyrimidine-5-carboxamide
CID 11526248

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide (CID 25093241) is 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is COc1cc(C2=NC(c3ccc(Cl)cc3F)C(C(=O)Nc3cc4cn[nH]c4cc3F)=C(C)N2)ccn1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is TYHGSJHFMYWTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N6O2/c1-12-22(25(35)32-20-7-14-11-30-34-19(14)10-18(20)28)23(16-4-3-15(26)9-17(16)27)33-24(31-12)13-5-6-29-21(8-13)36-2/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)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 508.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-N-(6-fluoro-1H-indazol-5-yl)-2-(2-methoxy-4-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 25093241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).