N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C26H24ClF3N6O2 — CID 134278228

IUPACN-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cnc2c(Cl)cc(C(=O)N3CC[C@@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@@H](c4ccccc4)C3)cn12
InChIInChI=1S/C26H24ClF3N6O2/c1-15-12-31-23-19(27)10-17(13-36(15)23)25(38)35-9-8-20(18(14-35)16-6-4-3-5-7-16)32-24(37)21-11-22(26(28,29)30)33-34(21)2/h3-7,10-13,18,20H,8-9,14H2,1-2H3,(H,32,37)/t18-,20-/m1/s1
InChIKeyJWHLDDGLGGSFAZ-UYAOXDASSA-N
MW544.97 g/mol
LogP4.48
Rot. Bonds4

About N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 134278228) has the molecular formula C26H24ClF3N6O2 and a molecular weight of 544.97 g/mol. Its IUPAC name is N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID134278228
Molecular FormulaC26H24ClF3N6O2
Molecular Weight544.97 g/mol
Exact Mass544.16
IUPAC NameN-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1cnc2c(Cl)cc(C(=O)N3CC[C@@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@@H](c4ccccc4)C3)cn12
InChIInChI=1S/C26H24ClF3N6O2/c1-15-12-31-23-19(27)10-17(13-36(15)23)25(38)35-9-8-20(18(14-35)16-6-4-3-5-7-16)32-24(37)21-11-22(26(28,29)30)33-34(21)2/h3-7,10-13,18,20H,8-9,14H2,1-2H3,(H,32,37)/t18-,20-/m1/s1
InChIKeyJWHLDDGLGGSFAZ-UYAOXDASSA-N
XLogP4.48
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.97
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 134278228) is N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1cnc2c(Cl)cc(C(=O)N3CC[C@@H](NC(=O)c4cc(C(F)(F)F)nn4C)[C@@H](c4ccccc4)C3)cn12.
What is the InChIKey of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is JWHLDDGLGGSFAZ-UYAOXDASSA-N. The full InChI is InChI=1S/C26H24ClF3N6O2/c1-15-12-31-23-19(27)10-17(13-36(15)23)25(38)35-9-8-20(18(14-35)16-6-4-3-5-7-16)32-24(37)21-11-22(26(28,29)30)33-34(21)2/h3-7,10-13,18,20H,8-9,14H2,1-2H3,(H,32,37)/t18-,20-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 544.97 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(8-chloro-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 134278228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).