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

C22H22N6OS — CID 144691305

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(-c2cn[nH]c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)sc1C
InChIInChI=1S/C22H22N6OS/c1-13-14(2)30-22(24-13)17-11-23-27-20(17)21(29)25-16-8-9-28-12-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-7,11-12,16H,8-10H2,1-2H3,(H,23,27)(H,25,29)
InChIKeyLCKWGNDTVZYNMP-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.76
Rot. Bonds4

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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide (PubChem CID 144691305) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
PubChem CID144691305
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nc(-c2cn[nH]c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)sc1C
InChIInChI=1S/C22H22N6OS/c1-13-14(2)30-22(24-13)17-11-23-27-20(17)21(29)25-16-8-9-28-12-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-7,11-12,16H,8-10H2,1-2H3,(H,23,27)(H,25,29)
InChIKeyLCKWGNDTVZYNMP-UHFFFAOYSA-N
XLogP3.76
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide (CID 144691305) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide is Cc1nc(-c2cn[nH]c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is LCKWGNDTVZYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-13-14(2)30-22(24-13)17-11-23-27-20(17)21(29)25-16-8-9-28-12-18(26-19(28)10-16)15-6-4-3-5-7-15/h3-7,11-12,16H,8-10H2,1-2H3,(H,23,27)(H,25,29).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 144691305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).