N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C35H37FN6O4 — CID 123332391

IUPACN-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(-n6cccn6)cc5)CC4F)cn3)CC2)cc1
InChIInChI=1S/C35H37FN6O4/c1-46-29-10-5-25(6-11-29)33(43)26-13-19-41(20-14-26)35(45)32-12-7-27(21-37-32)34(44)39-31-15-18-40(23-30(31)36)22-24-3-8-28(9-4-24)42-17-2-16-38-42/h2-12,16-17,21,26,30-31H,13-15,18-20,22-23H2,1H3,(H,39,44)
InChIKeyZCYJOGVVCSEIIW-UHFFFAOYSA-N
MW624.72 g/mol
LogP4.35
Rot. Bonds9

About N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 123332391) has the molecular formula C35H37FN6O4 and a molecular weight of 624.72 g/mol. Its IUPAC name is N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID123332391
Molecular FormulaC35H37FN6O4
Molecular Weight624.72 g/mol
Exact Mass624.29
IUPAC NameN-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(-n6cccn6)cc5)CC4F)cn3)CC2)cc1
InChIInChI=1S/C35H37FN6O4/c1-46-29-10-5-25(6-11-29)33(43)26-13-19-41(20-14-26)35(45)32-12-7-27(21-37-32)34(44)39-31-15-18-40(23-30(31)36)22-24-3-8-28(9-4-24)42-17-2-16-38-42/h2-12,16-17,21,26,30-31H,13-15,18-20,22-23H2,1H3,(H,39,44)
InChIKeyZCYJOGVVCSEIIW-UHFFFAOYSA-N
XLogP4.35
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-[7-(4-methoxyphenyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280226
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 44518169
2-[3-[3-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190479
N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 59190547
2-[3-[4-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190548
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzyl) piperidine-1-carbonyl)picolinamide
CID 66710649
AMPK activator 14
CID 56652377
N-(1-(4-cyanobenzyl)-3,3-difluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 56652379
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710293
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 123332391) is N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(-n6cccn6)cc5)CC4F)cn3)CC2)cc1.
What is the InChIKey of N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is ZCYJOGVVCSEIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN6O4/c1-46-29-10-5-25(6-11-29)33(43)26-13-19-41(20-14-26)35(45)32-12-7-27(21-37-32)34(44)39-31-15-18-40(23-30(31)36)22-24-3-8-28(9-4-24)42-17-2-16-38-42/h2-12,16-17,21,26,30-31H,13-15,18-20,22-23H2,1H3,(H,39,44).
What are the key properties of N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 624.72 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 123332391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).