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

C21H20N8O — CID 10069570

IUPAC6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCC(C)c1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H20N8O/c1-11(2)16-10-18(28-26-16)24-19-13-5-3-4-6-15(13)23-21(25-19)22-12-7-8-14-17(9-12)27-29-20(14)30/h3-11H,1-2H3,(H2,27,29,30)(H3,22,23,24,25,26,28)
InChIKeyHVNABWDCAMCYTD-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.13
Rot. Bonds5

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

6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 10069570) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID10069570
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCC(C)c1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H20N8O/c1-11(2)16-10-18(28-26-16)24-19-13-5-3-4-6-15(13)23-21(25-19)22-12-7-8-14-17(9-12)27-29-20(14)30/h3-11H,1-2H3,(H2,27,29,30)(H3,22,23,24,25,26,28)
InChIKeyHVNABWDCAMCYTD-UHFFFAOYSA-N
XLogP4.13
TPSA127.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one with MolForge

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Related Compounds

1-[4-[(1,3-Dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]ethanone
CID 5063441
1,3-dimethyl-N-(4-propionylphenyl)-1H-pyrazolo[3,4-b]quinolin-4-amine
CID 11493934
1-[4-[(1,3-Dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]-2-methylpropan-1-one
CID 44446743
1-[4-[(3-amino-1H-pyrazolo[4,5-c]quinolin-4-yl)amino]phenyl]ethanone
CID 124093784
[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone
CID 141483894
6-({4-[(3-Cyclopropyl-1h-Pyrazol-5-Yl)amino]-5-(Phenylamino)pyrimidin-2-Yl}amino)-1,2-Dihydro-3h-Indazol-3-One
CID 57498060
4-(3-Propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 67500479
1-[4-[(3-Ethyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)amino]phenyl]ethanone
CID 16024357
4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide
CID 164613616
4-[(1,3-Dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]benzamide
CID 44446744
1-[4-[[1-Methyl-3-(1-methylethyl)-1H-pyrazolo[3,4-b]quinolin-4-yl]amino]phenyl]ethanone
CID 44446748
4-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl]amino]benzamide
CID 16050879

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 10069570) is 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is CC(C)c1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1.
What is the InChIKey of 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is HVNABWDCAMCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-11(2)16-10-18(28-26-16)24-19-13-5-3-4-6-15(13)23-21(25-19)22-12-7-8-14-17(9-12)27-29-20(14)30/h3-11H,1-2H3,(H2,27,29,30)(H3,22,23,24,25,26,28).
What are the key properties of 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 400.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 10069570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).