formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C23H22N6O3 — CID 159700892

IUPACformic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Cc3ccc(-n4cccn4)cc3)c(C)cn2)nc1.O=CO
InChIInChI=1S/C22H20N6O.CH2O2/c1-15-12-24-22(25-13-15)27-21(29)20-11-18(16(2)14-23-20)10-17-4-6-19(7-5-17)28-9-3-8-26-28;2-1-3/h3-9,11-14H,10H2,1-2H3,(H,24,25,27,29);1H,(H,2,3)
InChIKeyMXPHRALMJBTDCM-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.22
Rot. Bonds5

About formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 159700892) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Nameformic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID159700892
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Nameformic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Cc3ccc(-n4cccn4)cc3)c(C)cn2)nc1.O=CO
InChIInChI=1S/C22H20N6O.CH2O2/c1-15-12-24-22(25-13-15)27-21(29)20-11-18(16(2)14-23-20)10-17-4-6-19(7-5-17)28-9-3-8-26-28;2-1-3/h3-9,11-14H,10H2,1-2H3,(H,24,25,27,29);1H,(H,2,3)
InChIKeyMXPHRALMJBTDCM-UHFFFAOYSA-N
XLogP3.22
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-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

N-[3-(hydroxymethyl)cyclobutyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663267
N-(3,3-difluorocyclopentyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663229
N-(2,2-difluorocyclohexyl)-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663243
4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide
CID 129017559
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017476
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
5-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017486
1-[5-cyclopropyl-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 139380585
1-[5-(difluoromethoxy)-4-[(4-pyrazol-1-ylphenyl)methyl]-2-pyridinyl]ethanone
CID 129045080
2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404570
6-chloro-4-[(4-pyrazol-1-ylphenyl)methyl]pyridin-3-ol
CID 125491841

Frequently Asked Questions

What is the IUPAC name of formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 159700892) is formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is Cc1cnc(NC(=O)c2cc(Cc3ccc(-n4cccn4)cc3)c(C)cn2)nc1.O=CO.
What is the InChIKey of formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is MXPHRALMJBTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O.CH2O2/c1-15-12-24-22(25-13-15)27-21(29)20-11-18(16(2)14-23-20)10-17-4-6-19(7-5-17)28-9-3-8-26-28;2-1-3/h3-9,11-14H,10H2,1-2H3,(H,24,25,27,29);1H,(H,2,3).
What are the key properties of formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-methyl-N-(5-methylpyrimidin-2-yl)-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 159700892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).