6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H11F4N7O — CID 66614331

IUPAC6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2onc(C(F)(F)F)c12
InChIInChI=1S/C19H11F4N7O/c20-11-6-2-1-4-9(11)8-30-17-10(5-3-7-25-17)13(28-30)16-26-15(24)12-14(19(21,22)23)29-31-18(12)27-16/h1-7H,8H2,(H2,24,26,27)
InChIKeyXDURKJWHVLUQIQ-UHFFFAOYSA-N
MW429.34 g/mol
LogP3.82
Rot. Bonds3

About 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 66614331) has the molecular formula C19H11F4N7O and a molecular weight of 429.34 g/mol. Its IUPAC name is 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID66614331
Molecular FormulaC19H11F4N7O
Molecular Weight429.34 g/mol
Exact Mass429.10
IUPAC Name6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2onc(C(F)(F)F)c12
InChIInChI=1S/C19H11F4N7O/c20-11-6-2-1-4-9(11)8-30-17-10(5-3-7-25-17)13(28-30)16-26-15(24)12-14(19(21,22)23)29-31-18(12)27-16/h1-7H,8H2,(H2,24,26,27)
InChIKeyXDURKJWHVLUQIQ-UHFFFAOYSA-N
XLogP3.82
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 66614331) is 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2onc(C(F)(F)F)c12.
What is the InChIKey of 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is XDURKJWHVLUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N7O/c20-11-6-2-1-4-9(11)8-30-17-10(5-3-7-25-17)13(28-30)16-26-15(24)12-14(19(21,22)23)29-31-18(12)27-16/h1-7H,8H2,(H2,24,26,27).
What are the key properties of 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 429.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-3-(trifluoromethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 66614331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).