4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

C17H14FN5O — CID 135985994

IUPAC4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(c2cc3c(C)[nH]nc3cc2F)c2c(C)noc2N1
InChIInChI=1S/C17H14FN5O/c1-7-12(6-19)16(15-9(3)23-24-17(15)20-7)11-4-10-8(2)21-22-14(10)5-13(11)18/h4-5,16,20H,1-3H3,(H,21,22)
InChIKeyDWJUFGLDDXQOCP-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.66
Rot. Bonds1

About 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135985994) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135985994
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile
SMILESCC1=C(C#N)C(c2cc3c(C)[nH]nc3cc2F)c2c(C)noc2N1
InChIInChI=1S/C17H14FN5O/c1-7-12(6-19)16(15-9(3)23-24-17(15)20-7)11-4-10-8(2)21-22-14(10)5-13(11)18/h4-5,16,20H,1-3H3,(H,21,22)
InChIKeyDWJUFGLDDXQOCP-UHFFFAOYSA-N
XLogP3.66
TPSA90.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile (CID 135985994) is 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile is CC1=C(C#N)C(c2cc3c(C)[nH]nc3cc2F)c2c(C)noc2N1.
What is the InChIKey of 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is DWJUFGLDDXQOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-7-12(6-19)16(15-9(3)23-24-17(15)20-7)11-4-10-8(2)21-22-14(10)5-13(11)18/h4-5,16,20H,1-3H3,(H,21,22).
What are the key properties of 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile?
4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 323.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-methyl-2H-indazol-5-yl)-3,6-dimethyl-4,7-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135985994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).