7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine

C20H18F2N6O2 — CID 177195608

IUPAC7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)c(Oc2nc(-c3cncn3C(F)F)cc3ncnc(N)c23)c1C
InChIInChI=1S/C20H18F2N6O2/c1-10-4-5-15(29-3)11(2)17(10)30-19-16-13(25-8-26-18(16)23)6-12(27-19)14-7-24-9-28(14)20(21)22/h4-9,20H,1-3H3,(H2,23,25,26)
InChIKeyJKUQAWNZIGGWES-UHFFFAOYSA-N
MW412.40 g/mol
LogP4.28
Rot. Bonds5

About 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine

7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 177195608) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID177195608
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C)c(Oc2nc(-c3cncn3C(F)F)cc3ncnc(N)c23)c1C
InChIInChI=1S/C20H18F2N6O2/c1-10-4-5-15(29-3)11(2)17(10)30-19-16-13(25-8-26-18(16)23)6-12(27-19)14-7-24-9-28(14)20(21)22/h4-9,20H,1-3H3,(H2,23,25,26)
InChIKeyJKUQAWNZIGGWES-UHFFFAOYSA-N
XLogP4.28
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
103D5R
CID 11267663
N6-[(2,4,6-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine
CID 479414
N4-quinolin-3-yl-N2-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 10109869
4-(4-Benzyloxyanilino)-6-(N-methylimidazol-5-yl)pyrido[3,4-d]pyrimidine
CID 22112846
1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204335
6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204336
3-[8-Amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44539192
1-methyl-6-(4-(2-(6-methylpyridin-2-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 49862102
3-Cyclobutyl-1-(2-ethoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57960806
3-Cyclobutyl-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 57961010
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-7-methoxy-4-N-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
CID 75108447

Frequently Asked Questions

What is the IUPAC name of 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine (CID 177195608) is 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine is COc1ccc(C)c(Oc2nc(-c3cncn3C(F)F)cc3ncnc(N)c23)c1C.
What is the InChIKey of 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is JKUQAWNZIGGWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-10-4-5-15(29-3)11(2)17(10)30-19-16-13(25-8-26-18(16)23)6-12(27-19)14-7-24-9-28(14)20(21)22/h4-9,20H,1-3H3,(H2,23,25,26).
What are the key properties of 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine?
7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 412.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(difluoromethyl)imidazol-4-yl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177195608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).