CID 161056144

C20H32F2N4O2 — CID 161056144

IUPAC—
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)ccc3F)nc2)CC1.[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H]
InChIInChI=1S/C20H22F2N4O2.5H2/c1-13(27)26-9-7-16(8-10-26)25(2)20(28)24-15-4-6-19(23-12-15)17-11-14(21)3-5-18(17)22;;;;;/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,28);5*1H/i;3*1+1D;2*1+1
InChIKeyUCTVBCDIBSTJQW-HAGCFACHSA-N
MW406.55 g/mol
LogP4.73
Rot. Bonds3

About CID 161056144

CID 161056144 (PubChem CID 161056144) has the molecular formula C20H32F2N4O2 and a molecular weight of 406.55 g/mol.

Molecular Properties

Compound NameCID 161056144
PubChem CID161056144
Molecular FormulaC20H32F2N4O2
Molecular Weight406.55 g/mol
Exact Mass406.30
IUPAC Name—
SMILESCC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)ccc3F)nc2)CC1.[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H]
InChIInChI=1S/C20H22F2N4O2.5H2/c1-13(27)26-9-7-16(8-10-26)25(2)20(28)24-15-4-6-19(23-12-15)17-11-14(21)3-5-18(17)22;;;;;/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,28);5*1H/i;3*1+1D;2*1+1
InChIKeyUCTVBCDIBSTJQW-HAGCFACHSA-N
XLogP4.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 10161144
1-[1-(4-bromo-2,3-dihydrothiophene-5-carbonyl)piperidin-4-yl]-3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methylurea
CID 71145731
deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propan-2-ylsulfonylpiperidin-4-yl)urea;molecular hydrogen
CID 157434659
1-(1-acetylpiperidin-4-yl)-3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methylurea
CID 10179396
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea
CID 10138917
1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
CID 20782216
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10158780
1-(1-benzoylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)pyrimidin-5-yl]-1-methylurea;methane
CID 158468317
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10136719

Frequently Asked Questions

What is the IUPAC name of CID 161056144?
The IUPAC name of CID 161056144 (CID 161056144) is not available.
What is the SMILES notation for CID 161056144?
The canonical SMILES for CID 161056144 is CC(=O)N1CCC(N(C)C(=O)Nc2ccc(-c3cc(F)ccc3F)nc2)CC1.[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].
What is the InChIKey of CID 161056144?
The InChIKey is UCTVBCDIBSTJQW-HAGCFACHSA-N. The full InChI is InChI=1S/C20H22F2N4O2.5H2/c1-13(27)26-9-7-16(8-10-26)25(2)20(28)24-15-4-6-19(23-12-15)17-11-14(21)3-5-18(17)22;;;;;/h3-6,11-12,16H,7-10H2,1-2H3,(H,24,28);5*1H/i;3*1+1D;2*1+1.
What are the key properties of CID 161056144?
CID 161056144 has a molecular weight of 406.55 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161056144 is sourced from PubChem (CID 161056144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).