3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

C23H22N6O2 — CID 134328473

IUPAC3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCNC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C23H22N6O2/c1-14-3-4-15(23(31)27-18-6-7-18)9-19(14)17-10-26-29(13-17)21-11-25-20-8-5-16(12-28(20)21)22(30)24-2/h3-5,8-13,18H,6-7H2,1-2H3,(H,24,30)(H,27,31)
InChIKeyXGXWEGQUCCHKGK-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.75
Rot. Bonds5

About 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide

3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 134328473) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID134328473
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCNC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C23H22N6O2/c1-14-3-4-15(23(31)27-18-6-7-18)9-19(14)17-10-26-29(13-17)21-11-25-20-8-5-16(12-28(20)21)22(30)24-2/h3-5,8-13,18H,6-7H2,1-2H3,(H,24,30)(H,27,31)
InChIKeyXGXWEGQUCCHKGK-UHFFFAOYSA-N
XLogP2.75
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide (CID 134328473) is 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide is CNC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.
What is the InChIKey of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is XGXWEGQUCCHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-14-3-4-15(23(31)27-18-6-7-18)9-19(14)17-10-26-29(13-17)21-11-25-20-8-5-16(12-28(20)21)22(30)24-2/h3-5,8-13,18H,6-7H2,1-2H3,(H,24,30)(H,27,31).
What are the key properties of 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide?
3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-methylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 134328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).