5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one

C24H22N8O3 — CID 70835627

IUPAC5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
SMILESO=C(c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1)N1CC[C@H](CO)C1
InChIInChI=1S/C24H22N8O3/c33-12-13-7-8-32(11-13)24(35)19-10-20(30-29-19)26-22-15-3-1-2-4-17(15)25-21(27-22)14-5-6-18-16(9-14)23(34)31-28-18/h1-6,9-10,13,33H,7-8,11-12H2,(H2,28,31,34)(H2,25,26,27,29,30)/t13-/m0/s1
InChIKeyXXFDBSLPYLMTKO-ZDUSSCGKSA-N
MW470.49 g/mol
LogP2.39
Rot. Bonds5

About 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one

5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one (PubChem CID 70835627) has the molecular formula C24H22N8O3 and a molecular weight of 470.49 g/mol. Its IUPAC name is 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
PubChem CID70835627
Molecular FormulaC24H22N8O3
Molecular Weight470.49 g/mol
Exact Mass470.18
IUPAC Name5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one
SMILESO=C(c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1)N1CC[C@H](CO)C1
InChIInChI=1S/C24H22N8O3/c33-12-13-7-8-32(11-13)24(35)19-10-20(30-29-19)26-22-15-3-1-2-4-17(15)25-21(27-22)14-5-6-18-16(9-14)23(34)31-28-18/h1-6,9-10,13,33H,7-8,11-12H2,(H2,28,31,34)(H2,25,26,27,29,30)/t13-/m0/s1
InChIKeyXXFDBSLPYLMTKO-ZDUSSCGKSA-N
XLogP2.39
TPSA155.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 52.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one 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 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one (CID 70835627) is 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one is O=C(c1cc(Nc2nc(-c3ccc4[nH][nH]c(=O)c4c3)nc3ccccc23)n[nH]1)N1CC[C@H](CO)C1.
What is the InChIKey of 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
The InChIKey is XXFDBSLPYLMTKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H22N8O3/c33-12-13-7-8-32(11-13)24(35)19-10-20(30-29-19)26-22-15-3-1-2-4-17(15)25-21(27-22)14-5-6-18-16(9-14)23(34)31-28-18/h1-6,9-10,13,33H,7-8,11-12H2,(H2,28,31,34)(H2,25,26,27,29,30)/t13-/m0/s1.
What are the key properties of 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one?
5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one has a molecular weight of 470.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[5-[(3S)-3-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyrazol-3-yl]amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 70835627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).