4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol

C22H18FN5O — CID 67563822

IUPAC4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol
SMILESNC1(c2ccc3c(cnn3Cc3cccc(F)c3)c2)N=CNc2ccc(O)cc21
InChIInChI=1S/C22H18FN5O/c23-17-3-1-2-14(8-17)12-28-21-7-4-16(9-15(21)11-27-28)22(24)19-10-18(29)5-6-20(19)25-13-26-22/h1-11,13,29H,12,24H2,(H,25,26)
InChIKeyQTQWOLUAGGWSRL-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.54
Rot. Bonds3

About 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol

4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol (PubChem CID 67563822) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol.

Molecular Properties

Compound Name4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol
PubChem CID67563822
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol
SMILESNC1(c2ccc3c(cnn3Cc3cccc(F)c3)c2)N=CNc2ccc(O)cc21
InChIInChI=1S/C22H18FN5O/c23-17-3-1-2-14(8-17)12-28-21-7-4-16(9-15(21)11-27-28)22(24)19-10-18(29)5-6-20(19)25-13-26-22/h1-11,13,29H,12,24H2,(H,25,26)
InChIKeyQTQWOLUAGGWSRL-UHFFFAOYSA-N
XLogP3.54
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxy-7-[3-(2-methylsulfonylethylamino)propyl]-1H-quinazolin-4-amine
CID 67565480
(NZ)-N-[[4-amino-6-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]methylidene]hydroxylamine
CID 59011847
5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
CID 117232569
1-[(3-chlorophenyl)methyl]-6-fluoroindazole
CID 141202076
1-benzyl-6-fluoroindazole
CID 83414179
dimethyl 3-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate
CID 168635647
6-bromo-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]thieno[3,2-c]pyridin-4-amine
CID 87968546
4-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)-1H-quinazoline-4,6-diamine
CID 150676967
(E)-3-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidin-5-yl]prop-2-enoic acid
CID 141400499
[1-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-4-yl]methanol
CID 10152127
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
1-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methoxy]-2H-quinoline
CID 141154876

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol?
The IUPAC name of 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol (CID 67563822) is 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol.
What is the SMILES notation for 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol?
The canonical SMILES for 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol is NC1(c2ccc3c(cnn3Cc3cccc(F)c3)c2)N=CNc2ccc(O)cc21.
What is the InChIKey of 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol?
The InChIKey is QTQWOLUAGGWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-3-1-2-14(8-17)12-28-21-7-4-16(9-15(21)11-27-28)22(24)19-10-18(29)5-6-20(19)25-13-26-22/h1-11,13,29H,12,24H2,(H,25,26).
What are the key properties of 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol?
4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol has a molecular weight of 387.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-1H-quinazolin-6-ol is sourced from PubChem (CID 67563822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).