3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide

C26H18ClFN6O2 — CID 175535125

IUPAC3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ncnc(N)c3Cl)c(F)c2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H18ClFN6O2/c27-21-24(29)31-14-32-26(21)36-19-12-11-16(13-18(19)28)22-20(25(30)35)23(15-7-3-1-4-8-15)34(33-22)17-9-5-2-6-10-17/h1-14H,(H2,30,35)(H2,29,31,32)
InChIKeyJFUWLPMBQNBNQN-UHFFFAOYSA-N
MW500.92 g/mol
LogP5.26
Rot. Bonds6

About 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide

3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide (PubChem CID 175535125) has the molecular formula C26H18ClFN6O2 and a molecular weight of 500.92 g/mol. Its IUPAC name is 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide
PubChem CID175535125
Molecular FormulaC26H18ClFN6O2
Molecular Weight500.92 g/mol
Exact Mass500.12
IUPAC Name3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ncnc(N)c3Cl)c(F)c2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H18ClFN6O2/c27-21-24(29)31-14-32-26(21)36-19-12-11-16(13-18(19)28)22-20(25(30)35)23(15-7-3-1-4-8-15)34(33-22)17-9-5-2-6-10-17/h1-14H,(H2,30,35)(H2,29,31,32)
InChIKeyJFUWLPMBQNBNQN-UHFFFAOYSA-N
XLogP5.26
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.92
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-(4-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175979400
3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175979423
dimethyl 3-[4-(difluoromethoxy)-3-fluorophenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387687
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-6-methyl-1-(4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 167268776
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545376
1-(4-chlorophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3821841
ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 25243551
5-amino-1-[6-(2-fluorophenoxy)pyrimidin-4-yl]-3-methylpyrazole-4-carboxamide
CID 18552693

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide?
The IUPAC name of 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide (CID 175535125) is 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide is NC(=O)c1c(-c2ccc(Oc3ncnc(N)c3Cl)c(F)c2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide?
The InChIKey is JFUWLPMBQNBNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN6O2/c27-21-24(29)31-14-32-26(21)36-19-12-11-16(13-18(19)28)22-20(25(30)35)23(15-7-3-1-4-8-15)34(33-22)17-9-5-2-6-10-17/h1-14H,(H2,30,35)(H2,29,31,32).
What are the key properties of 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide?
3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide has a molecular weight of 500.92 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 175535125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).