2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H25F3N4O2 — CID 142751943

IUPAC2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1c(Cc2ccc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)cc2)nc2ccccn12
InChIInChI=1S/C27H25F3N4O2/c28-27(29,30)36-22-10-6-19(7-11-22)20-12-15-33(16-13-20)21-8-4-18(5-9-21)17-23-25(26(31)35)34-14-2-1-3-24(34)32-23/h1-11,14,20H,12-13,15-17H2,(H2,31,35)
InChIKeyCZNYWNNRPYBKJX-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.31
Rot. Bonds6

About 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 142751943) has the molecular formula C27H25F3N4O2 and a molecular weight of 494.52 g/mol. Its IUPAC name is 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID142751943
Molecular FormulaC27H25F3N4O2
Molecular Weight494.52 g/mol
Exact Mass494.19
IUPAC Name2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1c(Cc2ccc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)cc2)nc2ccccn12
InChIInChI=1S/C27H25F3N4O2/c28-27(29,30)36-22-10-6-19(7-11-22)20-12-15-33(16-13-20)21-8-4-18(5-9-21)17-23-25(26(31)35)34-14-2-1-3-24(34)32-23/h1-11,14,20H,12-13,15-17H2,(H2,31,35)
InChIKeyCZNYWNNRPYBKJX-UHFFFAOYSA-N
XLogP5.31
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

Telacebec
CID 68234908
Serabelisib
CID 70798655
Lirafugratinib
CID 155309155
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
Dgat1-IN-1
CID 71696573
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 20
CID 5330621
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
1-Benzyl-3-[(4-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 11047906

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 142751943) is 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1c(Cc2ccc(N3CCC(c4ccc(OC(F)(F)F)cc4)CC3)cc2)nc2ccccn12.
What is the InChIKey of 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CZNYWNNRPYBKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O2/c28-27(29,30)36-22-10-6-19(7-11-22)20-12-15-33(16-13-20)21-8-4-18(5-9-21)17-23-25(26(31)35)34-14-2-1-3-24(34)32-23/h1-11,14,20H,12-13,15-17H2,(H2,31,35).
What are the key properties of 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.52 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 142751943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).