1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C22H15F3N6OS — CID 78322331

IUPAC1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H15F3N6OS/c1-30-19(15(10-26-30)21-29-17(12-33-21)22(23,24)25)20(32)27-14-7-8-31-11-16(28-18(31)9-14)13-5-3-2-4-6-13/h2-12H,1H3,(H,27,32)
InChIKeyJENNYFADFMTGHZ-UHFFFAOYSA-N
MW468.46 g/mol
LogP5.13
Rot. Bonds4

About 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 78322331) has the molecular formula C22H15F3N6OS and a molecular weight of 468.46 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID78322331
Molecular FormulaC22H15F3N6OS
Molecular Weight468.46 g/mol
Exact Mass468.10
IUPAC Name1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C22H15F3N6OS/c1-30-19(15(10-26-30)21-29-17(12-33-21)22(23,24)25)20(32)27-14-7-8-31-11-16(28-18(31)9-14)13-5-3-2-4-6-13/h2-12H,1H3,(H,27,32)
InChIKeyJENNYFADFMTGHZ-UHFFFAOYSA-N
XLogP5.13
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 78322331) is 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)(F)F)cs2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is JENNYFADFMTGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6OS/c1-30-19(15(10-26-30)21-29-17(12-33-21)22(23,24)25)20(32)27-14-7-8-31-11-16(28-18(31)9-14)13-5-3-2-4-6-13/h2-12H,1H3,(H,27,32).
What are the key properties of 1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 468.46 g/mol, XLogP of 5.13, 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-phenylimidazo[1,2-a]pyridin-7-yl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 78322331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).