8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane

C47H40N10O4 — CID 158266737

IUPAC8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane
SMILESC.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCc1ccc(N)cc1-2.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1ncc1ccc(N)cc12
InChIInChI=1S/C23H19N5O2.C23H17N5O2.CH4/c2*24-16-9-6-15-13-26-23-20(22(25)29)21(27-28(23)19(15)12-16)14-7-10-18(11-8-14)30-17-4-2-1-3-5-17;/h1-12,26H,13,24H2,(H2,25,29);1-13H,24H2,(H2,25,29);1H4
InChIKeyGINQAIKCQAOZJN-UHFFFAOYSA-N
MW808.90 g/mol
LogP8.60
Rot. Bonds8

About 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane

8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane (PubChem CID 158266737) has the molecular formula C47H40N10O4 and a molecular weight of 808.90 g/mol. Its IUPAC name is 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane.

Molecular Properties

Compound Name8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane
PubChem CID158266737
Molecular FormulaC47H40N10O4
Molecular Weight808.90 g/mol
Exact Mass808.32
IUPAC Name8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane
SMILESC.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCc1ccc(N)cc1-2.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1ncc1ccc(N)cc12
InChIInChI=1S/C23H19N5O2.C23H17N5O2.CH4/c2*24-16-9-6-15-13-26-23-20(22(25)29)21(27-28(23)19(15)12-16)14-7-10-18(11-8-14)30-17-4-2-1-3-5-17;/h1-12,26H,13,24H2,(H2,25,29);1-13H,24H2,(H2,25,29);1H4
InChIKeyGINQAIKCQAOZJN-UHFFFAOYSA-N
XLogP8.60
TPSA216.72 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.90
LogP ≤ 58.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-(2-aminophenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142799095
(7R)-7-(3-aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137228120
2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1,8-dicarboxamide
CID 175750463
(2S,6R)-11-(4-phenoxyphenyl)-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide
CID 136970117
7-[3-(2-oxobut-3-enyl)phenyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 149355436
7-[(but-2-ynoylamino)methyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983705
(9S)-4-(4-phenoxyphenyl)-11-prop-2-enoyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-5-carboxamide
CID 144735873
8-methoxy-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971390
8-formyl-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167151491
8-amino-3-(aminomethyl)-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 137058095
3-chloro-1-piperidin-1-ylpropan-1-one;2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170576170
6-[(1,3-dioxoisoindol-2-yl)methyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928080

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane?
The IUPAC name of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane (CID 158266737) is 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane.
What is the SMILES notation for 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane?
The canonical SMILES for 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane is C.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCc1ccc(N)cc1-2.NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1ncc1ccc(N)cc12.
What is the InChIKey of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane?
The InChIKey is GINQAIKCQAOZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2.C23H17N5O2.CH4/c2*24-16-9-6-15-13-26-23-20(22(25)29)21(27-28(23)19(15)12-16)14-7-10-18(11-8-14)30-17-4-2-1-3-5-17;/h1-12,26H,13,24H2,(H2,25,29);1-13H,24H2,(H2,25,29);1H4.
What are the key properties of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane?
8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane has a molecular weight of 808.90 g/mol, XLogP of 8.60, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide;8-amino-2-(4-phenoxyphenyl)pyrazolo[1,5-a]quinazoline-3-carboxamide;methane is sourced from PubChem (CID 158266737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).