2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol

C22H24ClFN4O — CID 141407159

IUPAC2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol
SMILESCN(C)C1CCC(Nc2ccnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1
InChIInChI=1S/C22H24ClFN4O/c1-28(2)15-5-3-14(4-6-15)26-20-9-10-25-19-8-7-18(27-21(19)20)13-11-16(23)22(29)17(24)12-13/h7-12,14-15,29H,3-6H2,1-2H3,(H,25,26)
InChIKeyHCVPRGPTWTVSBI-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.08
Rot. Bonds4

About 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol

2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol (PubChem CID 141407159) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol.

Molecular Properties

Compound Name2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol
PubChem CID141407159
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol
SMILESCN(C)C1CCC(Nc2ccnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1
InChIInChI=1S/C22H24ClFN4O/c1-28(2)15-5-3-14(4-6-15)26-20-9-10-25-19-8-7-18(27-21(19)20)13-11-16(23)22(29)17(24)12-13/h7-12,14-15,29H,3-6H2,1-2H3,(H,25,26)
InChIKeyHCVPRGPTWTVSBI-UHFFFAOYSA-N
XLogP5.08
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol with MolForge

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Related Compounds

[1-[[4-[[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 136927340
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-(dimethylamino)cyclohexyl]amino]quinolin-3-yl]cyclopropane-1-carbaldehyde
CID 87121195
[1-[[4-[[3-acetyl-6-(3-chloro-5-fluoro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]-tert-butylcarbamic acid
CID 136927350
N-[4-[[3-acetyl-6-(3,5-dichloro-4-hydroxyphenyl)-1,5-naphthyridin-4-yl]amino]cyclohexyl]-2-aminopropanamide
CID 136927281
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1,5-naphthyridin-3-yl]ethanone
CID 136927299
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]propan-2-one
CID 66715365
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-(cyclohexylamino)quinolin-3-yl]ethanone
CID 123548412
1-[6-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]quinolin-3-yl]ethanone;methane
CID 161417725
1-[6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[[4-(dimethylamino)cyclohexyl]amino]quinolin-3-yl]-3-methylbutan-1-one
CID 86692935
6-N-(3-chloro-4-fluorophenyl)-4-N-[4-(dimethylamino)cyclohexyl]pyrimidine-4,6-diamine
CID 174482983
6-[3-[[cyclopropyl(methyl)amino]methyl]-5-fluorophenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 122602509
(3S)-1-[(3-fluoro-5-pyrido[3,2-d]pyrimidin-6-ylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 141388859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol?
The IUPAC name of 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol (CID 141407159) is 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol.
What is the SMILES notation for 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol?
The canonical SMILES for 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol is CN(C)C1CCC(Nc2ccnc3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1.
What is the InChIKey of 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol?
The InChIKey is HCVPRGPTWTVSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-28(2)15-5-3-14(4-6-15)26-20-9-10-25-19-8-7-18(27-21(19)20)13-11-16(23)22(29)17(24)12-13/h7-12,14-15,29H,3-6H2,1-2H3,(H,25,26).
What are the key properties of 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol?
2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol has a molecular weight of 414.91 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[8-[[4-(dimethylamino)cyclohexyl]amino]-1,5-naphthyridin-2-yl]-6-fluorophenol is sourced from PubChem (CID 141407159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).