8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

C25H25N9 — CID 71621487

IUPAC8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(C)n5)nc3-4)c2)cn1
InChIInChI=1S/C25H25N9/c1-32-10-9-22(31-32)28-25-26-13-18-7-8-20-23(24(18)29-25)21(34(3)30-20)12-16-5-4-6-17(11-16)19-14-27-33(2)15-19/h4-6,9-11,13-15H,7-8,12H2,1-3H3,(H,26,28,29,31)
InChIKeyFNNJMLPKSOMUFS-UHFFFAOYSA-N
MW451.54 g/mol
LogP3.44
Rot. Bonds5

About 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine

8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 71621487) has the molecular formula C25H25N9 and a molecular weight of 451.54 g/mol. Its IUPAC name is 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID71621487
Molecular FormulaC25H25N9
Molecular Weight451.54 g/mol
Exact Mass451.22
IUPAC Name8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(C)n5)nc3-4)c2)cn1
InChIInChI=1S/C25H25N9/c1-32-10-9-22(31-32)28-25-26-13-18-7-8-20-23(24(18)29-25)21(34(3)30-20)12-16-5-4-6-17(11-16)19-14-27-33(2)15-19/h4-6,9-11,13-15H,7-8,12H2,1-3H3,(H,26,28,29,31)
InChIKeyFNNJMLPKSOMUFS-UHFFFAOYSA-N
XLogP3.44
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 71621487) is 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(C)n5)nc3-4)c2)cn1.
What is the InChIKey of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is FNNJMLPKSOMUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9/c1-32-10-9-22(31-32)28-25-26-13-18-7-8-20-23(24(18)29-25)21(34(3)30-20)12-16-5-4-6-17(11-16)19-14-27-33(2)15-19/h4-6,9-11,13-15H,7-8,12H2,1-3H3,(H,26,28,29,31).
What are the key properties of 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 451.54 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(1-methylpyrazol-3-yl)-9-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 71621487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).