8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one

C22H17F2N5O2 — CID 3235426

IUPAC8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)c1
InChIInChI=1S/C22H17F2N5O2/c1-31-17-4-2-3-15(10-17)26-22-25-11-18-20(28-22)29(16-5-6-16)21(30)19(27-18)12-7-13(23)9-14(24)8-12/h2-4,7-11,16H,5-6H2,1H3,(H,25,26,28)
InChIKeyDDPRPTZODSTNNV-UHFFFAOYSA-N
MW421.41 g/mol
LogP4.22
Rot. Bonds5

About 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one

8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one (PubChem CID 3235426) has the molecular formula C22H17F2N5O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
PubChem CID3235426
Molecular FormulaC22H17F2N5O2
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)c1
InChIInChI=1S/C22H17F2N5O2/c1-31-17-4-2-3-15(10-17)26-22-25-11-18-20(28-22)29(16-5-6-16)21(30)19(27-18)12-7-13(23)9-14(24)8-12/h2-4,7-11,16H,5-6H2,1H3,(H,25,26,28)
InChIKeyDDPRPTZODSTNNV-UHFFFAOYSA-N
XLogP4.22
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327895
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
Dclk1-IN-1
CID 134457640
N-[3-[6-benzyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 72202930
N-[3-[6-(2-fluorophenyl)-2-[4-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
CID 166625820
N-[3-[6-cyclohexyl-7-oxo-2-[3-(2-oxopropoxy)anilino]pteridin-8-yl]phenyl]prop-2-enamide
CID 166627409
N-[4-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]cyclopentanecarboxamide
CID 164609243
N-[4-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]cyclohexanecarboxamide
CID 164614226
[4-[4-(4-Fluoro-3-methoxyanilino)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
CID 164617145
N-[4-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]cyclopropanecarboxamide
CID 164618155
N-[4-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]benzamide
CID 164621873

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one (CID 3235426) is 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one is COc1cccc(Nc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C4CC4)c3n2)c1.
What is the InChIKey of 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one?
The InChIKey is DDPRPTZODSTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O2/c1-31-17-4-2-3-15(10-17)26-22-25-11-18-20(28-22)29(16-5-6-16)21(30)19(27-18)12-7-13(23)9-14(24)8-12/h2-4,7-11,16H,5-6H2,1H3,(H,25,26,28).
What are the key properties of 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one?
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one has a molecular weight of 421.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one is sourced from PubChem (CID 3235426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).