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

C26H31N9 — CID 56602726

IUPAC8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCN1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1
InChIInChI=1S/C26H31N9/c1-32-12-14-34(15-13-32)16-17-35-11-10-22(31-35)28-26-27-18-20-8-9-21-23(24(20)29-26)25(33(2)30-21)19-6-4-3-5-7-19/h3-7,10-11,18H,8-9,12-17H2,1-2H3,(H,27,28,29,31)
InChIKeyYQZQYYJJDVEIMT-UHFFFAOYSA-N
MW469.60 g/mol
LogP2.83
Rot. Bonds6

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

8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (PubChem CID 56602726) has the molecular formula C26H31N9 and a molecular weight of 469.60 g/mol. Its IUPAC name is 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.

Molecular Properties

Compound Name8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
PubChem CID56602726
Molecular FormulaC26H31N9
Molecular Weight469.60 g/mol
Exact Mass469.27
IUPAC Name8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
SMILESCN1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1
InChIInChI=1S/C26H31N9/c1-32-12-14-34(15-13-32)16-17-35-11-10-22(31-35)28-26-27-18-20-8-9-21-23(24(20)29-26)25(33(2)30-21)19-6-4-3-5-7-19/h3-7,10-11,18H,8-9,12-17H2,1-2H3,(H,27,28,29,31)
InChIKeyYQZQYYJJDVEIMT-UHFFFAOYSA-N
XLogP2.83
TPSA79.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.60
LogP ≤ 52.83
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-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The IUPAC name of 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine (CID 56602726) is 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine.
What is the SMILES notation for 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The canonical SMILES for 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is CN1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)CC4)n2)CC1.
What is the InChIKey of 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
The InChIKey is YQZQYYJJDVEIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N9/c1-32-12-14-34(15-13-32)16-17-35-11-10-22(31-35)28-26-27-18-20-8-9-21-23(24(20)29-26)25(33(2)30-21)19-6-4-3-5-7-19/h3-7,10-11,18H,8-9,12-17H2,1-2H3,(H,27,28,29,31).
What are the key properties of 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine?
8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine has a molecular weight of 469.60 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine is sourced from PubChem (CID 56602726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).