5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine

C18H12F2N10O — CID 86268352

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(Nc3nn[nH]n3)n2)cc1-c1ccon1
InChIInChI=1S/C18H12F2N10O/c19-11-4-2-1-3-10(11)9-30-15(13-5-6-31-27-13)7-14(26-30)17-21-8-12(20)16(22-17)23-18-24-28-29-25-18/h1-8H,9H2,(H2,21,22,23,24,25,28,29)
InChIKeyMBRUWGHKTJMCSP-UHFFFAOYSA-N
MW422.36 g/mol
LogP2.58
Rot. Bonds6

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine (PubChem CID 86268352) has the molecular formula C18H12F2N10O and a molecular weight of 422.36 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine
PubChem CID86268352
Molecular FormulaC18H12F2N10O
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine
SMILESFc1ccccc1Cn1nc(-c2ncc(F)c(Nc3nn[nH]n3)n2)cc1-c1ccon1
InChIInChI=1S/C18H12F2N10O/c19-11-4-2-1-3-10(11)9-30-15(13-5-6-31-27-13)7-14(26-30)17-21-8-12(20)16(22-17)23-18-24-28-29-25-18/h1-8H,9H2,(H2,21,22,23,24,25,28,29)
InChIKeyMBRUWGHKTJMCSP-UHFFFAOYSA-N
XLogP2.58
TPSA136.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine (CID 86268352) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine is Fc1ccccc1Cn1nc(-c2ncc(F)c(Nc3nn[nH]n3)n2)cc1-c1ccon1.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine?
The InChIKey is MBRUWGHKTJMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N10O/c19-11-4-2-1-3-10(11)9-30-15(13-5-6-31-27-13)7-14(26-30)17-21-8-12(20)16(22-17)23-18-24-28-29-25-18/h1-8H,9H2,(H2,21,22,23,24,25,28,29).
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine has a molecular weight of 422.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2H-tetrazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 86268352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).