N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide

C35H34F4N6O4 — CID 123340936

IUPACN-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1F)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1
InChIInChI=1S/C35H34F4N6O4/c36-29-22-43(21-23-2-9-28(10-3-23)49-35(37,38)39)17-14-30(29)42-33(47)26-6-11-31(40-20-26)34(48)44-18-12-25(13-19-44)32(46)24-4-7-27(8-5-24)45-16-1-15-41-45/h1-11,15-16,20,25,29-30H,12-14,17-19,21-22H2,(H,42,47)
InChIKeyGOAJHYTVSPYPCC-UHFFFAOYSA-N
MW678.69 g/mol
LogP5.24
Rot. Bonds9

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

N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 123340936) has the molecular formula C35H34F4N6O4 and a molecular weight of 678.69 g/mol. Its IUPAC name is N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID123340936
Molecular FormulaC35H34F4N6O4
Molecular Weight678.69 g/mol
Exact Mass678.26
IUPAC NameN-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1F)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1
InChIInChI=1S/C35H34F4N6O4/c36-29-22-43(21-23-2-9-28(10-3-23)49-35(37,38)39)17-14-30(29)42-33(47)26-6-11-31(40-20-26)34(48)44-18-12-25(13-19-44)32(46)24-4-7-27(8-5-24)45-16-1-15-41-45/h1-11,15-16,20,25,29-30H,12-14,17-19,21-22H2,(H,42,47)
InChIKeyGOAJHYTVSPYPCC-UHFFFAOYSA-N
XLogP5.24
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.69
LogP ≤ 55.24
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
5-fluoro-N-[4-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]cyclohexyl]-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carboxamide
CID 59190420
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
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
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-((cis)-1-(4-cyanobenzyl)-3-fluoropiperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710444
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710519

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 123340936) is N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1F)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)nc1.
What is the InChIKey of N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is GOAJHYTVSPYPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F4N6O4/c36-29-22-43(21-23-2-9-28(10-3-23)49-35(37,38)39)17-14-30(29)42-33(47)26-6-11-31(40-20-26)34(48)44-18-12-25(13-19-44)32(46)24-4-7-27(8-5-24)45-16-1-15-41-45/h1-11,15-16,20,25,29-30H,12-14,17-19,21-22H2,(H,42,47).
What are the key properties of N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 678.69 g/mol, XLogP of 5.24, 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-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-6-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 123340936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).