N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

C23H23ClFN5O — CID 172590856

IUPACN-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(Cl)c(-c3ccnc(-c4ccc(F)cc4)c3)n2)CC1
InChIInChI=1S/C23H23ClFN5O/c1-14(31)28-18-6-8-19(9-7-18)29-23-27-13-20(24)22(30-23)16-10-11-26-21(12-16)15-2-4-17(25)5-3-15/h2-5,10-13,18-19H,6-9H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyVFMLOOIQEOOZOH-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.86
Rot. Bonds5

About N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide

N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 172590856) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
PubChem CID172590856
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC NameN-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2ncc(Cl)c(-c3ccnc(-c4ccc(F)cc4)c3)n2)CC1
InChIInChI=1S/C23H23ClFN5O/c1-14(31)28-18-6-8-19(9-7-18)29-23-27-13-20(24)22(30-23)16-10-11-26-21(12-16)15-2-4-17(25)5-3-15/h2-5,10-13,18-19H,6-9H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyVFMLOOIQEOOZOH-UHFFFAOYSA-N
XLogP4.86
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-N-ethylpiperidine-1-carboxamide
CID 16129582
N-(4-chlorophenyl)-N'-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819603
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)urea
CID 46919120
Cdk9-IN-2
CID 49855228
(S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((2-methylpyridin-4-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one
CID 71727368
1-[(3-Chlorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89795321
1-[(4-Chlorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89795322
1-[(4-Chloro-3-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89807745
N-[3-[[[5-chloro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475667
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide (CID 172590856) is N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2ncc(Cl)c(-c3ccnc(-c4ccc(F)cc4)c3)n2)CC1.
What is the InChIKey of N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is VFMLOOIQEOOZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c1-14(31)28-18-6-8-19(9-7-18)29-23-27-13-20(24)22(30-23)16-10-11-26-21(12-16)15-2-4-17(25)5-3-15/h2-5,10-13,18-19H,6-9H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 439.92 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-chloro-4-[2-(4-fluorophenyl)-4-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 172590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).