2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide

C22H22N6O2 — CID 59588339

IUPAC2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
SMILESCCNC(=O)c1cn2cccc(C(=O)NCc3cnn(-c4cccc(C)c4)c3)c2n1
InChIInChI=1S/C22H22N6O2/c1-3-23-22(30)19-14-27-9-5-8-18(20(27)26-19)21(29)24-11-16-12-25-28(13-16)17-7-4-6-15(2)10-17/h4-10,12-14H,3,11H2,1-2H3,(H,23,30)(H,24,29)
InChIKeyJZEPTJKVRJVUCV-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.51
Rot. Bonds6

About 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide

2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide (PubChem CID 59588339) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
PubChem CID59588339
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide
SMILESCCNC(=O)c1cn2cccc(C(=O)NCc3cnn(-c4cccc(C)c4)c3)c2n1
InChIInChI=1S/C22H22N6O2/c1-3-23-22(30)19-14-27-9-5-8-18(20(27)26-19)21(29)24-11-16-12-25-28(13-16)17-7-4-6-15(2)10-17/h4-10,12-14H,3,11H2,1-2H3,(H,23,30)(H,24,29)
InChIKeyJZEPTJKVRJVUCV-UHFFFAOYSA-N
XLogP2.51
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 37141097
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-[1-(3-methylphenyl)pyrazol-4-yl]acetic acid
CID 83887006
N-benzyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172225
N-[[1-[3-chloro-4-(dimethylaminosulfanyl)phenyl]pyrazol-4-yl]methyl]-3-formylimidazo[1,2-a]pyridine-8-carboxamide
CID 143716744
methyl N-[6-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methylcarbamoyl]-2-pyridinyl]carbamate
CID 59406385
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?
The IUPAC name of 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide (CID 59588339) is 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?
The canonical SMILES for 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide is CCNC(=O)c1cn2cccc(C(=O)NCc3cnn(-c4cccc(C)c4)c3)c2n1.
What is the InChIKey of 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?
The InChIKey is JZEPTJKVRJVUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-3-23-22(30)19-14-27-9-5-8-18(20(27)26-19)21(29)24-11-16-12-25-28(13-16)17-7-4-6-15(2)10-17/h4-10,12-14H,3,11H2,1-2H3,(H,23,30)(H,24,29).
What are the key properties of 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide?
2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2,8-dicarboxamide is sourced from PubChem (CID 59588339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).