4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine

C18H15FN6O — CID 169231272

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccc(F)cc3)c2nc1N
InChIInChI=1S/C18H15FN6O/c1-25-8-12(15(24-25)10-3-5-11(19)6-4-10)16-17-13(21-9-22-16)7-14(26-2)18(20)23-17/h3-9H,1-2H3,(H2,20,23)
InChIKeyDKMSCZHSYSLTDK-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.82
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine (PubChem CID 169231272) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine
PubChem CID169231272
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccc(F)cc3)c2nc1N
InChIInChI=1S/C18H15FN6O/c1-25-8-12(15(24-25)10-3-5-11(19)6-4-10)16-17-13(21-9-22-16)7-14(26-2)18(20)23-17/h3-9H,1-2H3,(H2,20,23)
InChIKeyDKMSCZHSYSLTDK-UHFFFAOYSA-N
XLogP2.82
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
CID 169231442
4-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxy-N-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidin-6-amine
CID 169231935
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol
CID 169231757
4-[(1S)-1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]oxyethyl]-1,3-thiazole
CID 169231079
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
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
CID 169231719
N-[7-ethoxy-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 176837221
(1S,5S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231868
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169231987
3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-1-methylpyrrolidine-3-carboxamide
CID 169231937
6,6-difluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-6-yl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 169231482

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine (CID 169231272) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine is COc1cc2ncnc(-c3cn(C)nc3-c3ccc(F)cc3)c2nc1N.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine?
The InChIKey is DKMSCZHSYSLTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-25-8-12(15(24-25)10-3-5-11(19)6-4-10)16-17-13(21-9-22-16)7-14(26-2)18(20)23-17/h3-9H,1-2H3,(H2,20,23).
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine has a molecular weight of 350.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 169231272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).