N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide

C26H23F4N5O — CID 139997630

IUPACN-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1
InChIInChI=1S/C26H23F4N5O/c27-19-4-1-16(2-5-19)14-32-25(36)17-8-11-35(12-9-17)23-7-10-31-22-6-3-18(13-20(22)23)21-15-33-34-24(21)26(28,29)30/h1-7,10,13,15,17H,8-9,11-12,14H2,(H,32,36)(H,33,34)
InChIKeyHNNBNIQRRVZCIV-UHFFFAOYSA-N
MW497.50 g/mol
LogP5.32
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide (PubChem CID 139997630) has the molecular formula C26H23F4N5O and a molecular weight of 497.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
PubChem CID139997630
Molecular FormulaC26H23F4N5O
Molecular Weight497.50 g/mol
Exact Mass497.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1
InChIInChI=1S/C26H23F4N5O/c27-19-4-1-16(2-5-19)14-32-25(36)17-8-11-35(12-9-17)23-7-10-31-22-6-3-18(13-20(22)23)21-15-33-34-24(21)26(28,29)30/h1-7,10,13,15,17H,8-9,11-12,14H2,(H,32,36)(H,33,34)
InChIKeyHNNBNIQRRVZCIV-UHFFFAOYSA-N
XLogP5.32
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.50
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
N-[(4-fluorophenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133318641
1-(6-fluoro-2-methylquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133368551
1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 91952358
1-(7-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356339
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-[(4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133356392
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
N-[(4-fluorophenyl)methyl]-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxamide
CID 9192577
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
N-[(3-fluoro-4-methylphenyl)methyl]-1-thieno[3,2-b]pyridin-7-ylpiperidine-4-carboxamide
CID 133317132

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide (CID 139997630) is N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
The InChIKey is HNNBNIQRRVZCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O/c27-19-4-1-16(2-5-19)14-32-25(36)17-8-11-35(12-9-17)23-7-10-31-22-6-3-18(13-20(22)23)21-15-33-34-24(21)26(28,29)30/h1-7,10,13,15,17H,8-9,11-12,14H2,(H,32,36)(H,33,34).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 139997630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).