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

C20H19FN6O — CID 139331415

IUPAC3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2ncccc2F)c2c(N)nccc21
InChIInChI=1S/C20H19FN6O/c1-10(2)27-13-7-9-24-20(22)14(13)17(25-27)18-15(16-12(21)4-3-8-23-16)19(28-26-18)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H2,22,24)
InChIKeyBCOADXWRXONXJU-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.33
Rot. Bonds4

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

3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (PubChem CID 139331415) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
PubChem CID139331415
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2-c2ncccc2F)c2c(N)nccc21
InChIInChI=1S/C20H19FN6O/c1-10(2)27-13-7-9-24-20(22)14(13)17(25-27)18-15(16-12(21)4-3-8-23-16)19(28-26-18)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H2,22,24)
InChIKeyBCOADXWRXONXJU-UHFFFAOYSA-N
XLogP4.33
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (CID 139331415) is 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2-c2ncccc2F)c2c(N)nccc21.
What is the InChIKey of 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is BCOADXWRXONXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-10(2)27-13-7-9-24-20(22)14(13)17(25-27)18-15(16-12(21)4-3-8-23-16)19(28-26-18)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H2,22,24).
What are the key properties of 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-4-(3-fluoro-2-pyridinyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 139331415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).