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

C23H22F2N6OS — CID 90383335

IUPAC4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)nc1C(F)F
InChIInChI=1S/C23H22F2N6OS/c1-13-19(21(24)25)29-23(33-13)16-11-26-30(2)20(16)22(32)27-15-8-9-31-12-17(28-18(31)10-15)14-6-4-3-5-7-14/h3-7,11-12,15,21H,8-10H2,1-2H3,(H,27,32)
InChIKeyLMISMSCDPMYLGD-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.40
Rot. Bonds5

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

4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383335) has the molecular formula C23H22F2N6OS and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383335
Molecular FormulaC23H22F2N6OS
Molecular Weight468.53 g/mol
Exact Mass468.15
IUPAC Name4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)nc1C(F)F
InChIInChI=1S/C23H22F2N6OS/c1-13-19(21(24)25)29-23(33-13)16-11-26-30(2)20(16)22(32)27-15-8-9-31-12-17(28-18(31)10-15)14-6-4-3-5-7-14/h3-7,11-12,15,21H,8-10H2,1-2H3,(H,27,32)
InChIKeyLMISMSCDPMYLGD-UHFFFAOYSA-N
XLogP4.40
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383335) is 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1sc(-c2cnn(C)c2C(=O)NC2CCn3cc(-c4ccccc4)nc3C2)nc1C(F)F.
What is the InChIKey of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is LMISMSCDPMYLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6OS/c1-13-19(21(24)25)29-23(33-13)16-11-26-30(2)20(16)22(32)27-15-8-9-31-12-17(28-18(31)10-15)14-6-4-3-5-7-14/h3-7,11-12,15,21H,8-10H2,1-2H3,(H,27,32).
What are the key properties of 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).