2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one

C22H20F2N8O2 — CID 175384375

IUPAC2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one
SMILESCn1cc2c(n1)CN(c1nc3cnc(NC4CC4)nc3n(-c3ccc(OC(F)F)cc3)c1=O)C2
InChIInChI=1S/C22H20F2N8O2/c1-30-9-12-10-31(11-17(12)29-30)19-20(33)32(14-4-6-15(7-5-14)34-21(23)24)18-16(27-19)8-25-22(28-18)26-13-2-3-13/h4-9,13,21H,2-3,10-11H2,1H3,(H,25,26,28)
InChIKeyFJTMRTCEWQUAAI-UHFFFAOYSA-N
MW466.45 g/mol
LogP2.61
Rot. Bonds6

About 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one

2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one (PubChem CID 175384375) has the molecular formula C22H20F2N8O2 and a molecular weight of 466.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one
PubChem CID175384375
Molecular FormulaC22H20F2N8O2
Molecular Weight466.45 g/mol
Exact Mass466.17
IUPAC Name2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one
SMILESCn1cc2c(n1)CN(c1nc3cnc(NC4CC4)nc3n(-c3ccc(OC(F)F)cc3)c1=O)C2
InChIInChI=1S/C22H20F2N8O2/c1-30-9-12-10-31(11-17(12)29-30)19-20(33)32(14-4-6-15(7-5-14)34-21(23)24)18-16(27-19)8-25-22(28-18)26-13-2-3-13/h4-9,13,21H,2-3,10-11H2,1H3,(H,25,26,28)
InChIKeyFJTMRTCEWQUAAI-UHFFFAOYSA-N
XLogP2.61
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
CID 165391315
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]pteridin-7-one
CID 172703021
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-[2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pteridin-7-one
CID 172710918
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-quinolin-6-ylpyrido[4,3-d]pyrimidin-7-one
CID 155674856
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 46239582
8-[4-(difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805218
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
CID 175835407
3-[4-(difluoromethoxy)phenyl]-3-(1-methylpyrazol-4-yl)-1-[2-(oxan-4-ylamino)quinazolin-7-yl]propan-1-one
CID 158721596
trans-(1S,3S)-3-[[9-(4-ethoxyphenyl)purin-2-yl]amino]cyclopentan-1-ol
CID 90389969
N-[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 133325736
3-(4-methoxyphenyl)-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 118659253

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one?
The IUPAC name of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one (CID 175384375) is 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one.
What is the SMILES notation for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one?
The canonical SMILES for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one is Cn1cc2c(n1)CN(c1nc3cnc(NC4CC4)nc3n(-c3ccc(OC(F)F)cc3)c1=O)C2.
What is the InChIKey of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one?
The InChIKey is FJTMRTCEWQUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8O2/c1-30-9-12-10-31(11-17(12)29-30)19-20(33)32(14-4-6-15(7-5-14)34-21(23)24)18-16(27-19)8-25-22(28-18)26-13-2-3-13/h4-9,13,21H,2-3,10-11H2,1H3,(H,25,26,28).
What are the key properties of 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one?
2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one has a molecular weight of 466.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pteridin-7-one is sourced from PubChem (CID 175384375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).