8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C19H25N7O2 — CID 45139990

IUPAC8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(C)=O)CC3)nc1-2
InChIInChI=1S/C19H25N7O2/c1-11(27)26-8-6-13(7-9-26)22-19-21-10-12-4-5-14-16(18(28)20-2)24-25(3)17(14)15(12)23-19/h10,13H,4-9H2,1-3H3,(H,20,28)(H,21,22,23)
InChIKeyAOJLBKYLAVRMQT-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.76
Rot. Bonds3

About 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139990) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139990
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(C)=O)CC3)nc1-2
InChIInChI=1S/C19H25N7O2/c1-11(27)26-8-6-13(7-9-26)22-19-21-10-12-4-5-14-16(18(28)20-2)24-25(3)17(14)15(12)23-19/h10,13H,4-9H2,1-3H3,(H,20,28)(H,21,22,23)
InChIKeyAOJLBKYLAVRMQT-UHFFFAOYSA-N
XLogP0.76
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-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 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139990) is 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(C)=O)CC3)nc1-2.
What is the InChIKey of 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is AOJLBKYLAVRMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-11(27)26-8-6-13(7-9-26)22-19-21-10-12-4-5-14-16(18(28)20-2)24-25(3)17(14)15(12)23-19/h10,13H,4-9H2,1-3H3,(H,20,28)(H,21,22,23).
What are the key properties of 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-acetylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).