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

C22H22N6OS — CID 90383215

IUPAC1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)cs1
InChIInChI=1S/C22H22N6OS/c1-14-24-19(13-30-14)17-11-23-27(2)21(17)22(29)25-16-8-9-28-12-18(26-20(28)10-16)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3,(H,25,29)
InChIKeyJIOWQEVRFMODRO-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.46
Rot. Bonds4

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

1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383215) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383215
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Name1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)cs1
InChIInChI=1S/C22H22N6OS/c1-14-24-19(13-30-14)17-11-23-27(2)21(17)22(29)25-16-8-9-28-12-18(26-20(28)10-16)15-6-4-3-5-7-15/h3-7,11-13,16H,8-10H2,1-2H3,(H,25,29)
InChIKeyJIOWQEVRFMODRO-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383215) is 1-methyl-4-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1nc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)cs1.
What is the InChIKey of 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is JIOWQEVRFMODRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-14-24-19(13-30-14)17-11-23-27(2)21(17)22(29)25-16-8-9-28-12-18(26-20(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-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).