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

C27H27F3N6O3 — CID 134278532

IUPACN-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)c3C(F)(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C27H27F3N6O3/c1-16-12-31-24-22(39-3)11-18(14-36(16)24)26(38)35-10-9-21(20(15-35)17-7-5-4-6-8-17)33-25(37)19-13-32-34(2)23(19)27(28,29)30/h4-8,11-14,20-21H,9-10,15H2,1-3H3,(H,33,37)/t20-,21-/m1/s1
InChIKeyJODNAPASWIAADH-NHCUHLMSSA-N
MW540.55 g/mol
LogP3.83
Rot. Bonds5

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

N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134278532) has the molecular formula C27H27F3N6O3 and a molecular weight of 540.55 g/mol. Its IUPAC name is N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134278532
Molecular FormulaC27H27F3N6O3
Molecular Weight540.55 g/mol
Exact Mass540.21
IUPAC NameN-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)c3C(F)(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C27H27F3N6O3/c1-16-12-31-24-22(39-3)11-18(14-36(16)24)26(38)35-10-9-21(20(15-35)17-7-5-4-6-8-17)33-25(37)19-13-32-34(2)23(19)27(28,29)30/h4-8,11-14,20-21H,9-10,15H2,1-3H3,(H,33,37)/t20-,21-/m1/s1
InChIKeyJODNAPASWIAADH-NHCUHLMSSA-N
XLogP3.83
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134278532) is N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1cc(C(=O)N2CC[C@@H](NC(=O)c3cnn(C)c3C(F)(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12.
What is the InChIKey of N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is JODNAPASWIAADH-NHCUHLMSSA-N. The full InChI is InChI=1S/C27H27F3N6O3/c1-16-12-31-24-22(39-3)11-18(14-36(16)24)26(38)35-10-9-21(20(15-35)17-7-5-4-6-8-17)33-25(37)19-13-32-34(2)23(19)27(28,29)30/h4-8,11-14,20-21H,9-10,15H2,1-3H3,(H,33,37)/t20-,21-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 540.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134278532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).