4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine

C22H17F2N7 — CID 169231854

IUPAC4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine
SMILESCn1ccc(-c2cc3ncnc(-c4cn(C)nc4-c4c(F)cccc4F)c3cc2N)n1
InChIInChI=1S/C22H17F2N7/c1-30-7-6-18(28-30)12-9-19-13(8-17(12)25)21(27-11-26-19)14-10-31(2)29-22(14)20-15(23)4-3-5-16(20)24/h3-11H,25H2,1-2H3
InChIKeyYHICKMGZMGSVBI-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.96
Rot. Bonds3

About 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine

4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine (PubChem CID 169231854) has the molecular formula C22H17F2N7 and a molecular weight of 417.42 g/mol. Its IUPAC name is 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine.

Molecular Properties

Compound Name4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine
PubChem CID169231854
Molecular FormulaC22H17F2N7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Name4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine
SMILESCn1ccc(-c2cc3ncnc(-c4cn(C)nc4-c4c(F)cccc4F)c3cc2N)n1
InChIInChI=1S/C22H17F2N7/c1-30-7-6-18(28-30)12-9-19-13(8-17(12)25)21(27-11-26-19)14-10-31(2)29-22(14)20-15(23)4-3-5-16(20)24/h3-11H,25H2,1-2H3
InChIKeyYHICKMGZMGSVBI-UHFFFAOYSA-N
XLogP3.96
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-amine
CID 169231719
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]-7-methoxyquinazolin-6-ol
CID 169231230
6-amino-4-[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]pyrido[3,2-d]pyrimidin-7-ol
CID 169231757
4-(2-fluorophenyl)-1-methyl-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118815
[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 79485433
6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231449
4-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119567
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
6-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidin-4-amine
CID 103132081
N-[4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-methoxypyrido[3,2-d]pyrimidin-6-yl]-3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 176837210
6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231902

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine?
The IUPAC name of 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine (CID 169231854) is 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine.
What is the SMILES notation for 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine?
The canonical SMILES for 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine is Cn1ccc(-c2cc3ncnc(-c4cn(C)nc4-c4c(F)cccc4F)c3cc2N)n1.
What is the InChIKey of 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine?
The InChIKey is YHICKMGZMGSVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7/c1-30-7-6-18(28-30)12-9-19-13(8-17(12)25)21(27-11-26-19)14-10-31(2)29-22(14)20-15(23)4-3-5-16(20)24/h3-11H,25H2,1-2H3.
What are the key properties of 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine?
4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine has a molecular weight of 417.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-7-(1-methylpyrazol-3-yl)quinazolin-6-amine is sourced from PubChem (CID 169231854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).