3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide

C20H20ClN5O — CID 117077419

IUPAC3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1cc(-c2cnn(C)c2)c(Cl)cn1
InChIInChI=1S/C20H20ClN5O/c1-12-3-4-13(20(27)24-15-5-6-15)7-18(12)25-19-8-16(17(21)10-22-19)14-9-23-26(2)11-14/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyFGGKUNZBYWMDDD-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.08
Rot. Bonds5

About 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide

3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 117077419) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID117077419
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1cc(-c2cnn(C)c2)c(Cl)cn1
InChIInChI=1S/C20H20ClN5O/c1-12-3-4-13(20(27)24-15-5-6-15)7-18(12)25-19-8-16(17(21)10-22-19)14-9-23-26(2)11-14/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyFGGKUNZBYWMDDD-UHFFFAOYSA-N
XLogP4.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide 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

5-(5-chloro-2-methylanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271670
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
5-chloro-4-(1-methylpyrazol-4-yl)-N-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyridin-2-amine
CID 117077353
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
tert-butyl 3-[[3-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 175084829
N-cyclobutyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59603873
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
3-methoxy-4-(1-methylpyrazol-4-yl)-N-[4-(4-oxo-3H-phthalazin-1-yl)cyclohexyl]benzamide
CID 134286708
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 134328481
N-cyclopropyl-7-methoxy-5-[4-(1-methylpyrazol-4-yl)phenyl]-1,7-naphthyridin-7-ium-3-carboxamide
CID 142527646

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide (CID 117077419) is 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1cc(-c2cnn(C)c2)c(Cl)cn1.
What is the InChIKey of 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is FGGKUNZBYWMDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-12-3-4-13(20(27)24-15-5-6-15)7-18(12)25-19-8-16(17(21)10-22-19)14-9-23-26(2)11-14/h3-4,7-11,15H,5-6H2,1-2H3,(H,22,25)(H,24,27).
What are the key properties of 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide?
3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 381.87 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 117077419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).