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

C28H26F3N5O3 — CID 134278824

IUPACN-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3C(F)(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C28H26F3N5O3/c1-17-14-33-25-23(39-2)13-19(15-36(17)25)27(38)35-12-10-22(20(16-35)18-7-4-3-5-8-18)34-26(37)24-21(28(29,30)31)9-6-11-32-24/h3-9,11,13-15,20,22H,10,12,16H2,1-2H3,(H,34,37)/t20-,22-/m1/s1
InChIKeyLHPJZRGLDSTFQV-IFMALSPDSA-N
MW537.54 g/mol
LogP4.49
Rot. Bonds5

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

N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134278824) has the molecular formula C28H26F3N5O3 and a molecular weight of 537.54 g/mol. Its IUPAC name is N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134278824
Molecular FormulaC28H26F3N5O3
Molecular Weight537.54 g/mol
Exact Mass537.20
IUPAC NameN-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3C(F)(F)F)[C@@H](c3ccccc3)C2)cn2c(C)cnc12
InChIInChI=1S/C28H26F3N5O3/c1-17-14-33-25-23(39-2)13-19(15-36(17)25)27(38)35-12-10-22(20(16-35)18-7-4-3-5-8-18)34-26(37)24-21(28(29,30)31)9-6-11-32-24/h3-9,11,13-15,20,22H,10,12,16H2,1-2H3,(H,34,37)/t20-,22-/m1/s1
InChIKeyLHPJZRGLDSTFQV-IFMALSPDSA-N
XLogP4.49
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.54
LogP ≤ 54.49
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-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 134278824) is N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-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]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is COc1cc(C(=O)N2CC[C@@H](NC(=O)c3ncccc3C(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]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LHPJZRGLDSTFQV-IFMALSPDSA-N. The full InChI is InChI=1S/C28H26F3N5O3/c1-17-14-33-25-23(39-2)13-19(15-36(17)25)27(38)35-12-10-22(20(16-35)18-7-4-3-5-8-18)34-26(37)24-21(28(29,30)31)9-6-11-32-24/h3-9,11,13-15,20,22H,10,12,16H2,1-2H3,(H,34,37)/t20-,22-/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]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[(3S,4R)-1-(8-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 537.54 g/mol, XLogP of 4.49, 5 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-methoxy-3-methylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134278824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).