6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol

C17H13FN6O — CID 169231757

IUPAC6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol
SMILESCn1cc(-c2ncnc3cc(O)c(N)nc23)c(-c2ccccc2F)n1
InChIInChI=1S/C17H13FN6O/c1-24-7-10(14(23-24)9-4-2-3-5-11(9)18)15-16-12(20-8-21-15)6-13(25)17(19)22-16/h2-8,25H,1H3,(H2,19,22)
InChIKeyZBXQGICDXULCEB-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.52
Rot. Bonds2

About 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol

6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol (PubChem CID 169231757) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol.

Molecular Properties

Compound Name6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol
PubChem CID169231757
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol
SMILESCn1cc(-c2ncnc3cc(O)c(N)nc23)c(-c2ccccc2F)n1
InChIInChI=1S/C17H13FN6O/c1-24-7-10(14(23-24)9-4-2-3-5-11(9)18)15-16-12(20-8-21-15)6-13(25)17(19)22-16/h2-8,25H,1H3,(H2,19,22)
InChIKeyZBXQGICDXULCEB-UHFFFAOYSA-N
XLogP2.52
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
CID 169231230
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
CID 169231719
N-[4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]cyclopropanecarboxamide
CID 169231877
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine
CID 169231272
(1R,5R)-N-[7-ethoxy-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169230944
6-[(4-methoxyphenyl)methylamino]-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-7-ol
CID 169231498
4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine
CID 169231854
4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
CID 169231935
[4-(2-fluorophenyl)-1-methylpyrazol-3-yl]methanol
CID 105423075
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
N-[4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231222
4-[(1R)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-oxazole
CID 169231983

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol?
The IUPAC name of 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol (CID 169231757) is 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol.
What is the SMILES notation for 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol?
The canonical SMILES for 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol is Cn1cc(-c2ncnc3cc(O)c(N)nc23)c(-c2ccccc2F)n1.
What is the InChIKey of 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol?
The InChIKey is ZBXQGICDXULCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-24-7-10(14(23-24)9-4-2-3-5-11(9)18)15-16-12(20-8-21-15)6-13(25)17(19)22-16/h2-8,25H,1H3,(H2,19,22).
What are the key properties of 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol?
6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol has a molecular weight of 336.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol is sourced from PubChem (CID 169231757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).