N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide

C29H29FN4O4 — CID 171681380

IUPACN-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C3CCN(C(=O)c4cn5cc(F)ccc5n4)CC3)cc2)cc(OC)c1C
InChIInChI=1S/C29H29FN4O4/c1-18-25(37-2)14-21(15-26(18)38-3)28(35)31-23-7-4-19(5-8-23)20-10-12-33(13-11-20)29(36)24-17-34-16-22(30)6-9-27(34)32-24/h4-9,14-17,20H,10-13H2,1-3H3,(H,31,35)
InChIKeyKMGWLKRLFMDQQZ-UHFFFAOYSA-N
MW516.57 g/mol
LogP5.07
Rot. Bonds6

About N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide

N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 171681380) has the molecular formula C29H29FN4O4 and a molecular weight of 516.57 g/mol. Its IUPAC name is N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID171681380
Molecular FormulaC29H29FN4O4
Molecular Weight516.57 g/mol
Exact Mass516.22
IUPAC NameN-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C3CCN(C(=O)c4cn5cc(F)ccc5n4)CC3)cc2)cc(OC)c1C
InChIInChI=1S/C29H29FN4O4/c1-18-25(37-2)14-21(15-26(18)38-3)28(35)31-23-7-4-19(5-8-23)20-10-12-33(13-11-20)29(36)24-17-34-16-22(30)6-9-27(34)32-24/h4-9,14-17,20H,10-13H2,1-3H3,(H,31,35)
InChIKeyKMGWLKRLFMDQQZ-UHFFFAOYSA-N
XLogP5.07
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.57
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171685466
N-[4-[1-(4,5-dimethoxy-2-methylbenzoyl)piperidin-4-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 171685696
N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171684341
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166
N-[4-[1-(5,6-difluoro-1H-indole-2-carbonyl)piperidin-4-yl]phenyl]-3-methoxy-4-nitrobenzamide
CID 171698938
N-[4-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]phenyl]-7-fluoro-2H-indazole-3-carboxamide
CID 171685415
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171684282
2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 118137180
2,6-dimethoxy-N-[4-[1-[4-[(2-methylpropan-2-yl)oxy]benzoyl]piperidin-4-yl]phenyl]benzamide
CID 171685751

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide (CID 171681380) is N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc(C3CCN(C(=O)c4cn5cc(F)ccc5n4)CC3)cc2)cc(OC)c1C.
What is the InChIKey of N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is KMGWLKRLFMDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O4/c1-18-25(37-2)14-21(15-26(18)38-3)28(35)31-23-7-4-19(5-8-23)20-10-12-33(13-11-20)29(36)24-17-34-16-22(30)6-9-27(34)32-24/h4-9,14-17,20H,10-13H2,1-3H3,(H,31,35).
What are the key properties of N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 516.57 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 171681380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).