6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

C20H18N8O — CID 57498033

IUPAC6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3cccc(C)c23)n[nH]1
InChIInChI=1S/C20H18N8O/c1-10-4-3-5-14-17(10)18(23-16-8-11(2)25-27-16)24-20(22-14)21-12-6-7-13-15(9-12)26-28-19(13)29/h3-9H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27)
InChIKeyAJIZADBVRLEZBP-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.63
Rot. Bonds4

About 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 57498033) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID57498033
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3cccc(C)c23)n[nH]1
InChIInChI=1S/C20H18N8O/c1-10-4-3-5-14-17(10)18(23-16-8-11(2)25-27-16)24-20(22-14)21-12-6-7-13-15(9-12)26-28-19(13)29/h3-9H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27)
InChIKeyAJIZADBVRLEZBP-UHFFFAOYSA-N
XLogP3.63
TPSA127.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 57498033) is 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3cccc(C)c23)n[nH]1.
What is the InChIKey of 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is AJIZADBVRLEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-10-4-3-5-14-17(10)18(23-16-8-11(2)25-27-16)24-20(22-14)21-12-6-7-13-15(9-12)26-28-19(13)29/h3-9H,1-2H3,(H2,26,28,29)(H3,21,22,23,24,25,27).
What are the key properties of 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 386.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 57498033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).