3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide

C24H19ClN6O — CID 69099923

IUPAC3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1cccc2c(-c3ccccc3Cl)nnn12
InChIInChI=1S/C24H19ClN6O/c1-15-10-11-16(24(32)27-22-12-13-26-30(22)2)14-18(15)20-8-5-9-21-23(28-29-31(20)21)17-6-3-4-7-19(17)25/h3-14H,1-2H3,(H,27,32)
InChIKeyNCGSUQVVAIVRPH-UHFFFAOYSA-N
MW442.91 g/mol
LogP5.01
Rot. Bonds4

About 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide

3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 69099923) has the molecular formula C24H19ClN6O and a molecular weight of 442.91 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID69099923
Molecular FormulaC24H19ClN6O
Molecular Weight442.91 g/mol
Exact Mass442.13
IUPAC Name3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1-c1cccc2c(-c3ccccc3Cl)nnn12
InChIInChI=1S/C24H19ClN6O/c1-15-10-11-16(24(32)27-22-12-13-26-30(22)2)14-18(15)20-8-5-9-21-23(28-29-31(20)21)17-6-3-4-7-19(17)25/h3-14H,1-2H3,(H,27,32)
InChIKeyNCGSUQVVAIVRPH-UHFFFAOYSA-N
XLogP5.01
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-bromo-3-chloro-N-(2-methylpyrazol-3-yl)benzamide
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4-hydrazinyl-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
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3-[1-(4-fluorophenyl)phthalazin-6-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide
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CID 108813825
2,6-dichloro-N-[(2-methylpyrazol-3-yl)carbamoyl]benzamide
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CID 103853900

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide (CID 69099923) is 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1-c1cccc2c(-c3ccccc3Cl)nnn12.
What is the InChIKey of 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is NCGSUQVVAIVRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O/c1-15-10-11-16(24(32)27-22-12-13-26-30(22)2)14-18(15)20-8-5-9-21-23(28-29-31(20)21)17-6-3-4-7-19(17)25/h3-14H,1-2H3,(H,27,32).
What are the key properties of 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide?
3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 442.91 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methyl-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 69099923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).