6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine

C38H43F2N7O3 — CID 143720123

IUPAC6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine
SMILESCNC(C)C.CNC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(O)cc4C)c3)c2=O)CC1.Fc1ccc2nccn2c1
InChIInChI=1S/C27H27FN4O3.C7H5FN2.C4H11N/c1-16-12-22(33)10-11-23(16)17-4-3-5-21(13-17)31-25-24(14-18(28)15-30-25)26(34)32(27(31)35)20-8-6-19(29-2)7-9-20;8-6-1-2-7-9-3-4-10(7)5-6;1-4(2)5-3/h3-5,10-15,19-20,29,33H,6-9H2,1-2H3;1-5H;4-5H,1-3H3
InChIKeyMEJWZMLEGSEVOM-UHFFFAOYSA-N
MW683.80 g/mol
LogP6.16
Rot. Bonds5

About 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine

6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine (PubChem CID 143720123) has the molecular formula C38H43F2N7O3 and a molecular weight of 683.80 g/mol. Its IUPAC name is 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine.

Molecular Properties

Compound Name6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine
PubChem CID143720123
Molecular FormulaC38H43F2N7O3
Molecular Weight683.80 g/mol
Exact Mass683.34
IUPAC Name6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine
SMILESCNC(C)C.CNC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(O)cc4C)c3)c2=O)CC1.Fc1ccc2nccn2c1
InChIInChI=1S/C27H27FN4O3.C7H5FN2.C4H11N/c1-16-12-22(33)10-11-23(16)17-4-3-5-21(13-17)31-25-24(14-18(28)15-30-25)26(34)32(27(31)35)20-8-6-19(29-2)7-9-20;8-6-1-2-7-9-3-4-10(7)5-6;1-4(2)5-3/h3-5,10-15,19-20,29,33H,6-9H2,1-2H3;1-5H;4-5H,1-3H3
InChIKeyMEJWZMLEGSEVOM-UHFFFAOYSA-N
XLogP6.16
TPSA118.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.80
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine with MolForge

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Related Compounds

6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methylamino]cyclohexyl]-1-[3-[4-hydroxy-2-[[methyl(2-methylpropyl)amino]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 143720081
[4-[6-fluoro-1-[3-(2-formyl-4-hydroxyphenyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]carbamic acid
CID 87467616
[4-[6-fluoro-1-[3-(2-formyl-5-hydroxyphenyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]carbamic acid
CID 87468065
[4-[6-fluoro-1-[3-(2-formyl-4-hydroxyphenyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid
CID 87468324
6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)ethyl]cyclohexyl]-1-[3-[4-hydroxy-2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 159962181
[4-[3-[6-fluoro-3-[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]phenyl]methyl N-tert-butylcarbamate
CID 123541773
6-fluoro-3-[(2R)-6-[1-(6-fluoroimidazo[1,2-a]pyridin-2-yl)ethylamino]spiro[2.5]octan-2-yl]-1-[3-[4-methyl-2-[[4-(methylamino)piperidin-1-yl]methyl]phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 163451534
methyl 3-[6-fluoro-3-[4-(2-methylpropanoylamino)cyclohexyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 15952984
6-methyl-3-[4-(methylamino)cyclohexyl]-1-[3-[2-(morpholin-4-ylmethyl)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 143720245
3-(4-aminocyclohexyl)-6-fluoro-1-(3-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 70293396
(2R)-N-[4-[6-fluoro-1-(3-methylsulfonylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]-2-hydroxy-2-phenylacetamide
CID 15952670
N-[4-[6-fluoro-1-(3-methylsulfanylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]benzamide
CID 15952877

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine?
The IUPAC name of 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine (CID 143720123) is 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine.
What is the SMILES notation for 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine?
The canonical SMILES for 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine is CNC(C)C.CNC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(O)cc4C)c3)c2=O)CC1.Fc1ccc2nccn2c1.
What is the InChIKey of 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine?
The InChIKey is MEJWZMLEGSEVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3.C7H5FN2.C4H11N/c1-16-12-22(33)10-11-23(16)17-4-3-5-21(13-17)31-25-24(14-18(28)15-30-25)26(34)32(27(31)35)20-8-6-19(29-2)7-9-20;8-6-1-2-7-9-3-4-10(7)5-6;1-4(2)5-3/h3-5,10-15,19-20,29,33H,6-9H2,1-2H3;1-5H;4-5H,1-3H3.
What are the key properties of 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine?
6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine has a molecular weight of 683.80 g/mol, XLogP of 6.16, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-[4-(methylamino)cyclohexyl]pyrido[2,3-d]pyrimidine-2,4-dione;6-fluoroimidazo[1,2-a]pyridine;N-methylpropan-2-amine is sourced from PubChem (CID 143720123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).