N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide

C23H21F3N6OS — CID 23537790

IUPACN-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1)c1nccs1
InChIInChI=1S/C23H21F3N6OS/c1-31(22-28-8-11-34-22)21(33)14-5-9-32(10-6-14)19-4-7-27-18-3-2-15(12-16(18)19)17-13-29-30-20(17)23(24,25)26/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,29,30)
InChIKeyJGOCAPLTSMNLBL-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.98
Rot. Bonds4

About N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide

N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide (PubChem CID 23537790) has the molecular formula C23H21F3N6OS and a molecular weight of 486.52 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
PubChem CID23537790
Molecular FormulaC23H21F3N6OS
Molecular Weight486.52 g/mol
Exact Mass486.14
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1)c1nccs1
InChIInChI=1S/C23H21F3N6OS/c1-31(22-28-8-11-34-22)21(33)14-5-9-32(10-6-14)19-4-7-27-18-3-2-15(12-16(18)19)17-13-29-30-20(17)23(24,25)26/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,29,30)
InChIKeyJGOCAPLTSMNLBL-UHFFFAOYSA-N
XLogP4.98
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide (CID 23537790) is N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide is CN(C(=O)C1CCN(c2ccnc3ccc(-c4cn[nH]c4C(F)(F)F)cc23)CC1)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
The InChIKey is JGOCAPLTSMNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6OS/c1-31(22-28-8-11-34-22)21(33)14-5-9-32(10-6-14)19-4-7-27-18-3-2-15(12-16(18)19)17-13-29-30-20(17)23(24,25)26/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,29,30).
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide?
N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-1-[6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]quinolin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 23537790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).