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

C15H16IN5O — CID 139331338

IUPAC3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2I)c2c(N)nccc21
InChIInChI=1S/C15H16IN5O/c1-7(2)21-9-5-6-18-15(17)10(9)12(19-21)13-11(16)14(22-20-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,17,18)
InChIKeyIWFVTSAJJUEPLP-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.73
Rot. Bonds3

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

3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (PubChem CID 139331338) has the molecular formula C15H16IN5O and a molecular weight of 409.23 g/mol. Its IUPAC name is 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
PubChem CID139331338
Molecular FormulaC15H16IN5O
Molecular Weight409.23 g/mol
Exact Mass409.04
IUPAC Name3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2noc(C3CC3)c2I)c2c(N)nccc21
InChIInChI=1S/C15H16IN5O/c1-7(2)21-9-5-6-18-15(17)10(9)12(19-21)13-11(16)14(22-20-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,17,18)
InChIKeyIWFVTSAJJUEPLP-UHFFFAOYSA-N
XLogP3.73
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (CID 139331338) is 3-(5-cyclopropyl-4-iodo-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-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is CC(C)n1nc(-c2noc(C3CC3)c2I)c2c(N)nccc21.
What is the InChIKey of 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is IWFVTSAJJUEPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN5O/c1-7(2)21-9-5-6-18-15(17)10(9)12(19-21)13-11(16)14(22-20-13)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 409.23 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-4-iodo-1,2-oxazol-3-yl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 139331338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).