N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C28H29FN4O2 — CID 121442365

IUPACN-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(F)cc5)CC4)cc3)n2c1
InChIInChI=1S/C28H29FN4O2/c1-19-27(33-18-25(35-2)11-12-26(33)31-19)28(34)30-17-20-3-9-24(10-4-20)32-15-13-22(14-16-32)21-5-7-23(29)8-6-21/h3-12,18,22H,13-17H2,1-2H3,(H,30,34)
InChIKeyROKVUHFYOVVXHG-UHFFFAOYSA-N
MW472.56 g/mol
LogP5.10
Rot. Bonds6

About N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 121442365) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID121442365
Molecular FormulaC28H29FN4O2
Molecular Weight472.56 g/mol
Exact Mass472.23
IUPAC NameN-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(F)cc5)CC4)cc3)n2c1
InChIInChI=1S/C28H29FN4O2/c1-19-27(33-18-25(35-2)11-12-26(33)31-19)28(34)30-17-20-3-9-24(10-4-20)32-15-13-22(14-16-32)21-5-7-23(29)8-6-21/h3-12,18,22H,13-17H2,1-2H3,(H,30,34)
InChIKeyROKVUHFYOVVXHG-UHFFFAOYSA-N
XLogP5.10
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.56
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442279
6-methoxy-N-[[4-[3-methoxy-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414199
2-ethyl-N-[[4-[4-[4-[fluoro(phosphanyl)methoxy]phenyl]piperidin-1-yl]phenyl]methyl]-6-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 166657384
6-chloro-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163201979
N-[[4-[4-(4-chlorophenyl)piperazin-1-yl]phenyl]methyl]-2-ethyl-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442204
2-ethyl-N-[[4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]methyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 121442132
6-bromo-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperidin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141476285
6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194026
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[4-[4-(trifluoromethoxy)phenoxy]phenyl]quinazolin-4-amine
CID 163202175
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-2-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-4-amine
CID 163201633
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 121442365) is N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(F)cc5)CC4)cc3)n2c1.
What is the InChIKey of N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ROKVUHFYOVVXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-19-27(33-18-25(35-2)11-12-26(33)31-19)28(34)30-17-20-3-9-24(10-4-20)32-15-13-22(14-16-32)21-5-7-23(29)8-6-21/h3-12,18,22H,13-17H2,1-2H3,(H,30,34).
What are the key properties of N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 472.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxy-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).