N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C19H12F2N6O — CID 66805007

IUPACN-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2oncc2n1
InChIInChI=1S/C19H12F2N6O/c1-9-4-2-3-5-11(9)17-23-14-8-22-28-16(14)19(24-17)25-18-12-6-10(20)7-13(21)15(12)26-27-18/h2-8H,1H3,(H2,23,24,25,26,27)
InChIKeyHUWFYVDDAOVLKJ-UHFFFAOYSA-N
MW378.34 g/mol
LogP4.49
Rot. Bonds3

About N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 66805007) has the molecular formula C19H12F2N6O and a molecular weight of 378.34 g/mol. Its IUPAC name is N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID66805007
Molecular FormulaC19H12F2N6O
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC NameN-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2oncc2n1
InChIInChI=1S/C19H12F2N6O/c1-9-4-2-3-5-11(9)17-23-14-8-22-28-16(14)19(24-17)25-18-12-6-10(20)7-13(21)15(12)26-27-18/h2-8H,1H3,(H2,23,24,25,26,27)
InChIKeyHUWFYVDDAOVLKJ-UHFFFAOYSA-N
XLogP4.49
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 66805007) is N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is Cc1ccccc1-c1nc(Nc2n[nH]c3c(F)cc(F)cc23)c2oncc2n1.
What is the InChIKey of N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is HUWFYVDDAOVLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N6O/c1-9-4-2-3-5-11(9)17-23-14-8-22-28-16(14)19(24-17)25-18-12-6-10(20)7-13(21)15(12)26-27-18/h2-8H,1H3,(H2,23,24,25,26,27).
What are the key properties of N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 378.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-difluoro-1H-indazol-3-yl)-5-(2-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 66805007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).