1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea

C23H24F3N5O — CID 71237093

IUPAC1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H24F3N5O/c1-15-10-12-31(13-11-15)21-17(6-8-19(29-21)23(24,25)26)14-27-22(32)30-20-9-7-16-4-2-3-5-18(16)28-20/h2-9,15H,10-14H2,1H3,(H2,27,28,30,32)
InChIKeyQHIMWZMUCVDBOC-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.21
Rot. Bonds4

About 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea

1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea (PubChem CID 71237093) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea.

Molecular Properties

Compound Name1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea
PubChem CID71237093
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H24F3N5O/c1-15-10-12-31(13-11-15)21-17(6-8-19(29-21)23(24,25)26)14-27-22(32)30-20-9-7-16-4-2-3-5-18(16)28-20/h2-9,15H,10-14H2,1H3,(H2,27,28,30,32)
InChIKeyQHIMWZMUCVDBOC-UHFFFAOYSA-N
XLogP5.21
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyrimidin-2-ylacetamide
CID 71238708
1-[6-(azetidin-1-yl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71238511
1-(1-chloroisoquinolin-5-yl)-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 71513609
N-[5-[1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methylamino]-1-oxopropan-2-yl]-2-pyridinyl]benzamide
CID 71238042
1-[5-chloro-6-(hydroxymethyl)-3-pyridinyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]urea
CID 150261818
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 25015756
2-(5-methoxy-1-methylindol-3-yl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 126564807
2-[5-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]-3-pyridinyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 71244606
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 25103754
1-[[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-3-quinolin-5-ylurea
CID 71238015
2-cyclobutyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 25104001
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 25102897

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea?
The IUPAC name of 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea (CID 71237093) is 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea.
What is the SMILES notation for 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea?
The canonical SMILES for 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea?
The InChIKey is QHIMWZMUCVDBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-15-10-12-31(13-11-15)21-17(6-8-19(29-21)23(24,25)26)14-27-22(32)30-20-9-7-16-4-2-3-5-18(16)28-20/h2-9,15H,10-14H2,1H3,(H2,27,28,30,32).
What are the key properties of 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea?
1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea has a molecular weight of 443.47 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-3-quinolin-2-ylurea is sourced from PubChem (CID 71237093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).