1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

C22H22N6OS — CID 90383225

IUPAC1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1cnc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)s1
InChIInChI=1S/C22H22N6OS/c1-14-11-23-22(30-14)17-12-24-27(2)20(17)21(29)25-16-8-9-28-13-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3,(H,25,29)
InChIKeyQQZZRDBKXDZXBX-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.46
Rot. Bonds4

About 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide

1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383225) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383225
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Name1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1cnc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)s1
InChIInChI=1S/C22H22N6OS/c1-14-11-23-22(30-14)17-12-24-27(2)20(17)21(29)25-16-8-9-28-13-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3,(H,25,29)
InChIKeyQQZZRDBKXDZXBX-UHFFFAOYSA-N
XLogP3.46
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide with MolForge

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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]ethanone
CID 117739228
US10100058, Example 105
CID 134540034
[(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone
CID 164628676
4-N-(2-fluoroethyl)-4-N,1-dimethyl-5-N-[(7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-4,5-dicarboxamide
CID 165414915
4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
4-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469619
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[(1-propylpyrazol-3-yl)methyl]pyrazole-4,5-dicarboxamide
CID 67388460
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650076
5-butyl-N-(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 60207828
N-[(1S)-7-(methylamino)-7-oxo-1-[5-(4-pyrazol-1-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221754

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383225) is 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1cnc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)s1.
What is the InChIKey of 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is QQZZRDBKXDZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-14-11-23-22(30-14)17-12-24-27(2)20(17)21(29)25-16-8-9-28-13-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3,(H,25,29).
What are the key properties of 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).