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

C23H18FN7O — CID 11604313

IUPAC4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2cnccn2)N1
InChIInChI=1S/C23H18FN7O/c1-13-20(23(32)29-17-6-7-18-15(10-17)11-27-31-18)21(14-2-4-16(24)5-3-14)30-22(28-13)19-12-25-8-9-26-19/h2-12,21H,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyIWILYSVOZLQCHZ-UHFFFAOYSA-N
MW427.44 g/mol
LogP3.50
Rot. Bonds4

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

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 11604313) has the molecular formula C23H18FN7O and a molecular weight of 427.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide
PubChem CID11604313
Molecular FormulaC23H18FN7O
Molecular Weight427.44 g/mol
Exact Mass427.16
IUPAC Name4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2cnccn2)N1
InChIInChI=1S/C23H18FN7O/c1-13-20(23(32)29-17-6-7-18-15(10-17)11-27-31-18)21(14-2-4-16(24)5-3-14)30-22(28-13)19-12-25-8-9-26-19/h2-12,21H,1H3,(H,27,31)(H,28,30)(H,29,32)
InChIKeyIWILYSVOZLQCHZ-UHFFFAOYSA-N
XLogP3.50
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide (CID 11604313) is 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2cnccn2)N1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
The InChIKey is IWILYSVOZLQCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O/c1-13-20(23(32)29-17-6-7-18-15(10-17)11-27-31-18)21(14-2-4-16(24)5-3-14)30-22(28-13)19-12-25-8-9-26-19/h2-12,21H,1H3,(H,27,31)(H,28,30)(H,29,32).
What are the key properties of 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide?
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyrazin-2-yl-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 11604313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).