3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide

C26H22Cl3F3N6O — CID 167099288

IUPAC3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
SMILESCN(c1cc(C(F)(F)F)nc2ccc(Cl)cc12)C1CCC(NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)CC1
InChIInChI=1S/C26H22Cl3F3N6O/c1-37(20-12-22(26(30,31)32)35-19-9-4-14(27)11-17(19)20)16-7-5-15(6-8-16)34-25(39)21-13-23(29)36-38(21)24-18(28)3-2-10-33-24/h2-4,9-13,15-16H,5-8H2,1H3,(H,34,39)
InChIKeyKUSBPDIVDSEISO-UHFFFAOYSA-N
MW597.86 g/mol
LogP6.97
Rot. Bonds5

About 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide

3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide (PubChem CID 167099288) has the molecular formula C26H22Cl3F3N6O and a molecular weight of 597.86 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
PubChem CID167099288
Molecular FormulaC26H22Cl3F3N6O
Molecular Weight597.86 g/mol
Exact Mass596.09
IUPAC Name3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide
SMILESCN(c1cc(C(F)(F)F)nc2ccc(Cl)cc12)C1CCC(NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)CC1
InChIInChI=1S/C26H22Cl3F3N6O/c1-37(20-12-22(26(30,31)32)35-19-9-4-14(27)11-17(19)20)16-7-5-15(6-8-16)34-25(39)21-13-23(29)36-38(21)24-18(28)3-2-10-33-24/h2-4,9-13,15-16H,5-8H2,1H3,(H,34,39)
InChIKeyKUSBPDIVDSEISO-UHFFFAOYSA-N
XLogP6.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.86
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrazole-5-carboxamide
CID 163267352
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 167099460
3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099137
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 167099450
2-(4-chloro-1H-indol-3-yl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]acetamide
CID 167099232
benzyl N-[4-[[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]amino]-4-oxobutyl]carbamate
CID 167099287
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-sulfanylamino]cyclohexyl]-4-methylpyridine-3-carboxamide
CID 163267027
(E)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 167099445
N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
CID 167099267
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
CID 167099516
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide (CID 167099288) is 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide is CN(c1cc(C(F)(F)F)nc2ccc(Cl)cc12)C1CCC(NC(=O)c2cc(Cl)nn2-c2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is KUSBPDIVDSEISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl3F3N6O/c1-37(20-12-22(26(30,31)32)35-19-9-4-14(27)11-17(19)20)16-7-5-15(6-8-16)34-25(39)21-13-23(29)36-38(21)24-18(28)3-2-10-33-24/h2-4,9-13,15-16H,5-8H2,1H3,(H,34,39).
What are the key properties of 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide?
3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 597.86 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 167099288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).