2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol

C21H13F2N5O — CID 135597702

IUPAC2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1
InChIInChI=1S/C21H13F2N5O/c22-11-9-14-18(15(23)10-11)27-28-21(14)26-19-12-5-1-3-7-16(12)24-20(25-19)13-6-2-4-8-17(13)29/h1-10,29H,(H2,24,25,26,27,28)
InChIKeyFJDBHGHHMYXSFA-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.90
Rot. Bonds3

About 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol

2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol (PubChem CID 135597702) has the molecular formula C21H13F2N5O and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
PubChem CID135597702
Molecular FormulaC21H13F2N5O
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC Name2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1
InChIInChI=1S/C21H13F2N5O/c22-11-9-14-18(15(23)10-11)27-28-21(14)26-19-12-5-1-3-7-16(12)24-20(25-19)13-6-2-4-8-17(13)29/h1-10,29H,(H2,24,25,26,27,28)
InChIKeyFJDBHGHHMYXSFA-UHFFFAOYSA-N
XLogP4.90
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 66805007
2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
CID 142747576
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 10202666
5,7-difluoro-N-[4-(2-methylphenyl)-6-phenylpyrimidin-2-yl]-1H-indazol-3-amine
CID 66804783
2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59212894
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
2-(2-chlorophenyl)-N-(5,7-difluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(7-fluoro-1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;2-(2-chlorophenyl)-N-(1H-indazol-3-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 158464061
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
[2-(2,4-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62241786
2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine
CID 20626222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol (CID 135597702) is 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2ccccc2n1.
What is the InChIKey of 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol?
The InChIKey is FJDBHGHHMYXSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5O/c22-11-9-14-18(15(23)10-11)27-28-21(14)26-19-12-5-1-3-7-16(12)24-20(25-19)13-6-2-4-8-17(13)29/h1-10,29H,(H2,24,25,26,27,28).
What are the key properties of 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol?
2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol has a molecular weight of 389.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135597702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).