3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide

C25H21N5O2 — CID 119099864

IUPAC3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)[nH]n1
InChIInChI=1S/C25H21N5O2/c1-16-8-7-13-30-15-22(26-24(16)30)17-9-3-5-11-19(17)27-25(31)21-14-20(28-29-21)18-10-4-6-12-23(18)32-2/h3-15H,1-2H3,(H,27,31)(H,28,29)
InChIKeyGTDCVVVBRWDKSY-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.96
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 119099864) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID119099864
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC Name3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)[nH]n1
InChIInChI=1S/C25H21N5O2/c1-16-8-7-13-30-15-22(26-24(16)30)17-9-3-5-11-19(17)27-25(31)21-14-20(28-29-21)18-10-4-6-12-23(18)32-2/h3-15H,1-2H3,(H,27,31)(H,28,29)
InChIKeyGTDCVVVBRWDKSY-UHFFFAOYSA-N
XLogP4.96
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide (CID 119099864) is 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GTDCVVVBRWDKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-16-8-7-13-30-15-22(26-24(16)30)17-9-3-5-11-19(17)27-25(31)21-14-20(28-29-21)18-10-4-6-12-23(18)32-2/h3-15H,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119099864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).