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

C21H20N6OS — CID 90383184

IUPAC1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2cscn2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C21H20N6OS/c1-26-20(16(10-23-26)18-12-29-13-22-18)21(28)24-15-7-8-27-11-17(25-19(27)9-15)14-5-3-2-4-6-14/h2-6,10-13,15H,7-9H2,1H3,(H,24,28)
InChIKeyAEEKUWGNBMVSGP-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.15
Rot. Bonds4

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

1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide (PubChem CID 90383184) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide
PubChem CID90383184
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2cscn2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1
InChIInChI=1S/C21H20N6OS/c1-26-20(16(10-23-26)18-12-29-13-22-18)21(28)24-15-7-8-27-11-17(25-19(27)9-15)14-5-3-2-4-6-14/h2-6,10-13,15H,7-9H2,1H3,(H,24,28)
InChIKeyAEEKUWGNBMVSGP-UHFFFAOYSA-N
XLogP3.15
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-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 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)-1,2,3-thiadiazole-4-carboxamide
CID 25263296
[(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
N-[3-(1H-imidazol-1-yl)propyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 650076

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide (CID 90383184) is 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide is Cn1ncc(-c2cscn2)c1C(=O)NC1CCn2cc(-c3ccccc3)nc2C1.
What is the InChIKey of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is AEEKUWGNBMVSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-26-20(16(10-23-26)18-12-29-13-22-18)21(28)24-15-7-8-27-11-17(25-19(27)9-15)14-5-3-2-4-6-14/h2-6,10-13,15H,7-9H2,1H3,(H,24,28).
What are the key properties of 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide?
1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-4-(1,3-thiazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).