N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide

C28H25F3N4O3 — CID 171683788

IUPACN-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESCCOc1c(F)c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)c4cccn5cncc45)cc3)CC2)c1F
InChIInChI=1S/C28H25F3N4O3/c1-2-38-26-24(30)21(14-22(29)25(26)31)28(37)34-12-9-18(10-13-34)17-5-7-19(8-6-17)33-27(36)20-4-3-11-35-16-32-15-23(20)35/h3-8,11,14-16,18H,2,9-10,12-13H2,1H3,(H,33,36)
InChIKeyHUYFOFJKFHKBQV-UHFFFAOYSA-N
MW522.53 g/mol
LogP5.42
Rot. Bonds6

About N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide

N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 171683788) has the molecular formula C28H25F3N4O3 and a molecular weight of 522.53 g/mol. Its IUPAC name is N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide
PubChem CID171683788
Molecular FormulaC28H25F3N4O3
Molecular Weight522.53 g/mol
Exact Mass522.19
IUPAC NameN-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESCCOc1c(F)c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)c4cccn5cncc45)cc3)CC2)c1F
InChIInChI=1S/C28H25F3N4O3/c1-2-38-26-24(30)21(14-22(29)25(26)31)28(37)34-12-9-18(10-13-34)17-5-7-19(8-6-17)33-27(36)20-4-3-11-35-16-32-15-23(20)35/h3-8,11,14-16,18H,2,9-10,12-13H2,1H3,(H,33,36)
InChIKeyHUYFOFJKFHKBQV-UHFFFAOYSA-N
XLogP5.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-3-(2-methyl-3-pyridinyl)propanamide
CID 171685778
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 171683666
[4-(3,4-difluorophenyl)piperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 171627970
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
ethyl 2-fluoro-3-[[4-[1-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171681767
ethyl 2-fluoro-3-[4-[4-[[2-(4-fluoroindol-1-yl)acetyl]amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171681792
ethyl 4-[4-[4-[(3-fluoro-2-nitrobenzoyl)amino]phenyl]piperidine-1-carbonyl]benzoate
CID 171678343
N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171684341
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
CID 69452897
(2S)-N-[4-[1-(4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl)piperidin-4-yl]phenyl]-2-methoxy-2-naphthalen-1-ylpropanamide
CID 171684618
4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171684282

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide (CID 171683788) is N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide is CCOc1c(F)c(F)cc(C(=O)N2CCC(c3ccc(NC(=O)c4cccn5cncc45)cc3)CC2)c1F.
What is the InChIKey of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide?
The InChIKey is HUYFOFJKFHKBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O3/c1-2-38-26-24(30)21(14-22(29)25(26)31)28(37)34-12-9-18(10-13-34)17-5-7-19(8-6-17)33-27(36)20-4-3-11-35-16-32-15-23(20)35/h3-8,11,14-16,18H,2,9-10,12-13H2,1H3,(H,33,36).
What are the key properties of N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide?
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 522.53 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 171683788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).