3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

C22H20N8O2 — CID 58935974

IUPAC3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H20N8O2/c1-11(2)23-22(32)17-10-18(29-28-17)25-20-13-5-3-4-6-15(13)24-19(26-20)12-7-8-16-14(9-12)21(31)30-27-16/h3-11H,1-2H3,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29)
InChIKeyZFVBPNDMHBOZKZ-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.07
Rot. Bonds5

About 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide

3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 58935974) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID58935974
Molecular FormulaC22H20N8O2
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C22H20N8O2/c1-11(2)23-22(32)17-10-18(29-28-17)25-20-13-5-3-4-6-15(13)24-19(26-20)12-7-8-16-14(9-12)21(31)30-27-16/h3-11H,1-2H3,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29)
InChIKeyZFVBPNDMHBOZKZ-UHFFFAOYSA-N
XLogP3.07
TPSA144.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-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 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 58935974) is 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)NC(=O)c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is ZFVBPNDMHBOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c1-11(2)23-22(32)17-10-18(29-28-17)25-20-13-5-3-4-6-15(13)24-19(26-20)12-7-8-16-14(9-12)21(31)30-27-16/h3-11H,1-2H3,(H,23,32)(H2,27,30,31)(H2,24,25,26,28,29).
What are the key properties of 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-oxo-1,2-dihydroindazol-5-yl)quinazolin-4-yl]amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58935974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).