N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C22H23F3N4O2 — CID 176905950

IUPACN-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2ccc(NC(=O)C3CCNCC3)c(C(F)(F)F)c2)cn2cc(C)nc12
InChIInChI=1S/C22H23F3N4O2/c1-13-11-29-12-16(10-19(31-2)20(29)27-13)15-3-4-18(17(9-15)22(23,24)25)28-21(30)14-5-7-26-8-6-14/h3-4,9-12,14,26H,5-8H2,1-2H3,(H,28,30)
InChIKeyCGKMOKCPMZEEKM-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.28
Rot. Bonds4

About N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 176905950) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID176905950
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCOc1cc(-c2ccc(NC(=O)C3CCNCC3)c(C(F)(F)F)c2)cn2cc(C)nc12
InChIInChI=1S/C22H23F3N4O2/c1-13-11-29-12-16(10-19(31-2)20(29)27-13)15-3-4-18(17(9-15)22(23,24)25)28-21(30)14-5-7-26-8-6-14/h3-4,9-12,14,26H,5-8H2,1-2H3,(H,28,30)
InChIKeyCGKMOKCPMZEEKM-UHFFFAOYSA-N
XLogP4.28
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 176905950) is N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is COc1cc(-c2ccc(NC(=O)C3CCNCC3)c(C(F)(F)F)c2)cn2cc(C)nc12.
What is the InChIKey of N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is CGKMOKCPMZEEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-13-11-29-12-16(10-19(31-2)20(29)27-13)15-3-4-18(17(9-15)22(23,24)25)28-21(30)14-5-7-26-8-6-14/h3-4,9-12,14,26H,5-8H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 176905950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).