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

C25H28N8 — CID 56602674

IUPAC8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccn(CCN4CCCC4)n3)ncc1CC2
InChIInChI=1S/C25H28N8/c1-31-24(18-7-3-2-4-8-18)22-20(29-31)10-9-19-17-26-25(28-23(19)22)27-21-11-14-33(30-21)16-15-32-12-5-6-13-32/h2-4,7-8,11,14,17H,5-6,9-10,12-13,15-16H2,1H3,(H,26,27,28,30)
InChIKeyQXNWQMXMRDSICW-UHFFFAOYSA-N
MW440.56 g/mol
LogP3.68
Rot. Bonds6

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

8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602674) has the molecular formula C25H28N8 and a molecular weight of 440.56 g/mol. Its IUPAC name is 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602674
Molecular FormulaC25H28N8
Molecular Weight440.56 g/mol
Exact Mass440.24
IUPAC Name8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccn(CCN4CCCC4)n3)ncc1CC2
InChIInChI=1S/C25H28N8/c1-31-24(18-7-3-2-4-8-18)22-20(29-31)10-9-19-17-26-25(28-23(19)22)27-21-11-14-33(30-21)16-15-32-12-5-6-13-32/h2-4,7-8,11,14,17H,5-6,9-10,12-13,15-16H2,1H3,(H,26,27,28,30)
InChIKeyQXNWQMXMRDSICW-UHFFFAOYSA-N
XLogP3.68
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602674) is 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is Cn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccn(CCN4CCCC4)n3)ncc1CC2.
What is the InChIKey of 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is QXNWQMXMRDSICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8/c1-31-24(18-7-3-2-4-8-18)22-20(29-31)10-9-19-17-26-25(28-23(19)22)27-21-11-14-33(30-21)16-15-32-12-5-6-13-32/h2-4,7-8,11,14,17H,5-6,9-10,12-13,15-16H2,1H3,(H,26,27,28,30).
What are the key properties of 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 440.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-phenyl-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-3-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).