3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide

C25H20N6O — CID 46907145

IUPAC3-[[3-(6-methyl-2-pyridinyl)-4-(1,5-naphthyridin-2-yl)pyrazol-1-yl]methyl]benzamide
SMILESCC1=NC(=CC=C1)C2=NN(C=C2C3=NC4=C(C=C3)N=CC=C4)CC5=CC(=CC=C5)C(=O)N
InChIInChI=1S/C25H20N6O/c1-16-5-2-8-23(28-16)24-19(20-10-11-21-22(29-20)9-4-12-27-21)15-31(30-24)14-17-6-3-7-18(13-17)25(26)32/h2-13,15H,14H2,1H3,(H2,26,32)
InChIKeyQXOFPMCSEIPTGK-UHFFFAOYSA-N
MW420.50 g/mol
LogP2.70
Rot. Bonds5

About 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide

3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide (PubChem CID 46907145) has the molecular formula C25H20N6O and a molecular weight of 420.50 g/mol. Its IUPAC name is 3-[[3-(6-methyl-2-pyridinyl)-4-(1,5-naphthyridin-2-yl)pyrazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide
PubChem CID46907145
Molecular FormulaC25H20N6O
Molecular Weight420.50 g/mol
Exact Mass420.17
IUPAC Name3-[[3-(6-methyl-2-pyridinyl)-4-(1,5-naphthyridin-2-yl)pyrazol-1-yl]methyl]benzamide
SMILESCC1=NC(=CC=C1)C2=NN(C=C2C3=NC4=C(C=C3)N=CC=C4)CC5=CC(=CC=C5)C(=O)N
InChIInChI=1S/C25H20N6O/c1-16-5-2-8-23(28-16)24-19(20-10-11-21-22(29-20)9-4-12-27-21)15-31(30-24)14-17-6-3-7-18(13-17)25(26)32/h2-13,15H,14H2,1H3,(H2,26,32)
InChIKeyQXOFPMCSEIPTGK-UHFFFAOYSA-N
XLogP2.70
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity646

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Galunisertib
CID 10090485
N-[4-(5-Ethyl-3-Pyridin-3-Yl-1h-Pyrazol-1-Yl)phenyl]pyridine-3-Carboxamide
CID 9820664
Dihydropyrrolopyrazole, 9
CID 10203646
3-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}-N-(Pyridin-2-Ylmethyl)propanamide
CID 49837887
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 53316426
N-ethyl-5-methyl-N-[2-[3-(6-methyl-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389484
N-[2-methyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]-3-pyridinyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283495
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
N-[(Pyridin-2-Yl)methyl]-4-[4-(Pyridin-4-Yl)-1h-Pyrazol-1-Yl]benzamide
CID 3685259

Frequently Asked Questions

What is the IUPAC name of 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide?
The IUPAC name of 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide (CID 46907145) is 3-[[3-(6-methyl-2-pyridinyl)-4-(1,5-naphthyridin-2-yl)pyrazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide?
The canonical SMILES for 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide is CC1=NC(=CC=C1)C2=NN(C=C2C3=NC4=C(C=C3)N=CC=C4)CC5=CC(=CC=C5)C(=O)N.
What is the InChIKey of 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide?
The InChIKey is QXOFPMCSEIPTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-16-5-2-8-23(28-16)24-19(20-10-11-21-22(29-20)9-4-12-27-21)15-31(30-24)14-17-6-3-7-18(13-17)25(26)32/h2-13,15H,14H2,1H3,(H2,26,32).
What are the key properties of 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide?
3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide has a molecular weight of 420.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide is sourced from PubChem (CID 46907145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).