N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

C29H29F3N4O2 — CID 162370313

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccn2cc(-c3ccc(OC(F)(F)F)cc3)nc2c1
InChIInChI=1S/C29H29F3N4O2/c30-29(31,32)38-25-8-6-23(7-9-25)26-20-36-17-13-24(18-27(36)34-26)28(37)33-14-10-21-11-15-35(16-12-21)19-22-4-2-1-3-5-22/h1-9,13,17-18,20-21H,10-12,14-16,19H2,(H,33,37)
InChIKeyKYMCZTIUTAXBTE-UHFFFAOYSA-N
MW522.57 g/mol
LogP5.93
Rot. Bonds8

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 162370313) has the molecular formula C29H29F3N4O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID162370313
Molecular FormulaC29H29F3N4O2
Molecular Weight522.57 g/mol
Exact Mass522.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccn2cc(-c3ccc(OC(F)(F)F)cc3)nc2c1
InChIInChI=1S/C29H29F3N4O2/c30-29(31,32)38-25-8-6-23(7-9-25)26-20-36-17-13-24(18-27(36)34-26)28(37)33-14-10-21-11-15-35(16-12-21)19-22-4-2-1-3-5-22/h1-9,13,17-18,20-21H,10-12,14-16,19H2,(H,33,37)
InChIKeyKYMCZTIUTAXBTE-UHFFFAOYSA-N
XLogP5.93
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 162370313) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccn2cc(-c3ccc(OC(F)(F)F)cc3)nc2c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is KYMCZTIUTAXBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O2/c30-29(31,32)38-25-8-6-23(7-9-25)26-20-36-17-13-24(18-27(36)34-26)28(37)33-14-10-21-11-15-35(16-12-21)19-22-4-2-1-3-5-22/h1-9,13,17-18,20-21H,10-12,14-16,19H2,(H,33,37).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 162370313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).