2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol

C27H33N9O — CID 56602782

IUPAC2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
SMILESCn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccn(CCN4CCN(CCO)CC4)n3)ncc1CC2
InChIInChI=1S/C27H33N9O/c1-33-26(20-5-3-2-4-6-20)24-22(31-33)8-7-21-19-28-27(30-25(21)24)29-23-9-10-36(32-23)16-15-34-11-13-35(14-12-34)17-18-37/h2-6,9-10,19,37H,7-8,11-18H2,1H3,(H,28,29,30,32)
InChIKeyWOJDCETUENOKJI-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.19
Rot. Bonds8

About 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol

2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol (PubChem CID 56602782) has the molecular formula C27H33N9O and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
PubChem CID56602782
Molecular FormulaC27H33N9O
Molecular Weight499.62 g/mol
Exact Mass499.28
IUPAC Name2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol
SMILESCn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccn(CCN4CCN(CCO)CC4)n3)ncc1CC2
InChIInChI=1S/C27H33N9O/c1-33-26(20-5-3-2-4-6-20)24-22(31-33)8-7-21-19-28-27(30-25(21)24)29-23-9-10-36(32-23)16-15-34-11-13-35(14-12-34)17-18-37/h2-6,9-10,19,37H,7-8,11-18H2,1H3,(H,28,29,30,32)
InChIKeyWOJDCETUENOKJI-UHFFFAOYSA-N
XLogP2.19
TPSA100.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol (CID 56602782) is 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol is Cn1nc2c(c1-c1ccccc1)-c1nc(Nc3ccn(CCN4CCN(CCO)CC4)n3)ncc1CC2.
What is the InChIKey of 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is WOJDCETUENOKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N9O/c1-33-26(20-5-3-2-4-6-20)24-22(31-33)8-7-21-19-28-27(30-25(21)24)29-23-9-10-36(32-23)16-15-34-11-13-35(14-12-34)17-18-37/h2-6,9-10,19,37H,7-8,11-18H2,1H3,(H,28,29,30,32).
What are the key properties of 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol?
2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 499.62 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[(8-methyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)amino]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 56602782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).