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

C24H27N7O2 — CID 45139992

IUPAC8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28)
InChIKeyTZBRTWANJDQXNF-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.05
Rot. Bonds4

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

8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139992) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139992
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28)
InChIKeyTZBRTWANJDQXNF-UHFFFAOYSA-N
XLogP2.05
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139992) is 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2.
What is the InChIKey of 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is TZBRTWANJDQXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-25-22(32)20-18-9-8-16-14-26-24(28-19(16)21(18)30(2)29-20)27-17-10-12-31(13-11-17)23(33)15-6-4-3-5-7-15/h3-7,14,17H,8-13H2,1-2H3,(H,25,32)(H,26,27,28).
What are the key properties of 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-benzoylpiperidin-4-yl)amino]-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).