2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C17H19N5O2 — CID 135908481

IUPAC2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
InChIInChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-15-18-16(23)12-5-2-3-6-14(12)22(15)19-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23)
InChIKeyXGONRZNVOGGEMK-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.95
Rot. Bonds1

About 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135908481) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135908481
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1
InChIInChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-15-18-16(23)12-5-2-3-6-14(12)22(15)19-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23)
InChIKeyXGONRZNVOGGEMK-UHFFFAOYSA-N
XLogP0.95
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
3-[[1-(Cyclopropylmethyl)-5-Ethanoyl-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridin-3-Yl]amino]-~{n}-Propan-2-Yl-Benzamide
CID 121365488
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-methylbenzamide
CID 121373033
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide
CID 121373043
2-phenylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135939584
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-ethylbenzamide
CID 134135176
3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-propylbenzamide
CID 134139020
2-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 135464724
3-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
CID 135625118
3-cyclopropyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenylpyrazole-5-carboxamide
CID 135625119
2-p-tolylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907000
2-(4-ethylphenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one
CID 135907001

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135908481) is 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is CN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1.
What is the InChIKey of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is XGONRZNVOGGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-20-7-4-8-21(10-9-20)17(24)13-11-15-18-16(23)12-5-2-3-6-14(12)22(15)19-13/h2-3,5-6,11H,4,7-10H2,1H3,(H,18,23).
What are the key properties of 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 325.37 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135908481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).