3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine

C19H20FN7O — CID 139331431

IUPAC3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c21
InChIInChI=1S/C19H20FN7O/c1-9(2)27-17-11(20)6-22-19(21)14(17)15(24-27)16-13(12-7-26(3)8-23-12)18(28-25-16)10-4-5-10/h6-10H,4-5H2,1-3H3,(H2,21,22)
InChIKeyVWFPLRLJQLFIER-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.67
Rot. Bonds4

About 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine

3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (PubChem CID 139331431) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
PubChem CID139331431
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c21
InChIInChI=1S/C19H20FN7O/c1-9(2)27-17-11(20)6-22-19(21)14(17)15(24-27)16-13(12-7-26(3)8-23-12)18(28-25-16)10-4-5-10/h6-10H,4-5H2,1-3H3,(H2,21,22)
InChIKeyVWFPLRLJQLFIER-UHFFFAOYSA-N
XLogP3.67
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The IUPAC name of 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine (CID 139331431) is 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The canonical SMILES for 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2-c2cn(C)cn2)c2c(N)ncc(F)c21.
What is the InChIKey of 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
The InChIKey is VWFPLRLJQLFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-9(2)27-17-11(20)6-22-19(21)14(17)15(24-27)16-13(12-7-26(3)8-23-12)18(28-25-16)10-4-5-10/h6-10H,4-5H2,1-3H3,(H2,21,22).
What are the key properties of 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine?
3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine has a molecular weight of 381.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-4-(1-methylimidazol-4-yl)-1,2-oxazol-3-yl]-7-fluoro-1-propan-2-ylpyrazolo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 139331431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).