1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C23H28N8O — CID 45142012

IUPAC1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN1CCN(c2cccc(CNc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1
InChIInChI=1S/C23H28N8O/c1-29-8-10-31(11-9-29)17-5-3-4-15(12-17)13-25-23-26-14-16-6-7-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-5,12,14H,6-11,13H2,1-2H3,(H2,24,32)(H,25,26,27)
InChIKeyHOJYIPVBRINFGF-UHFFFAOYSA-N
MW432.53 g/mol
LogP1.44
Rot. Bonds5

About 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45142012) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45142012
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN1CCN(c2cccc(CNc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1
InChIInChI=1S/C23H28N8O/c1-29-8-10-31(11-9-29)17-5-3-4-15(12-17)13-25-23-26-14-16-6-7-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-5,12,14H,6-11,13H2,1-2H3,(H2,24,32)(H,25,26,27)
InChIKeyHOJYIPVBRINFGF-UHFFFAOYSA-N
XLogP1.44
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45142012) is 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CN1CCN(c2cccc(CNc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1.
What is the InChIKey of 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is HOJYIPVBRINFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O/c1-29-8-10-31(11-9-29)17-5-3-4-15(12-17)13-25-23-26-14-16-6-7-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-5,12,14H,6-11,13H2,1-2H3,(H2,24,32)(H,25,26,27).
What are the key properties of 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[[3-(4-methylpiperazin-1-yl)phenyl]methylamino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45142012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).