5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide

C16H17N5O2 — CID 24653896

IUPAC5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)on3)cnc21
InChIInChI=1S/C16H17N5O2/c1-9(2)21-15-11(7-18-21)5-12(8-17-15)19-16(22)13-6-14(23-20-13)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,22)
InChIKeyMPFSGMSERPOHLT-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.13
Rot. Bonds4

About 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 24653896) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID24653896
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)on3)cnc21
InChIInChI=1S/C16H17N5O2/c1-9(2)21-15-11(7-18-21)5-12(8-17-15)19-16(22)13-6-14(23-20-13)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,22)
InChIKeyMPFSGMSERPOHLT-UHFFFAOYSA-N
XLogP3.13
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide (CID 24653896) is 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cc(C4CC4)on3)cnc21.
What is the InChIKey of 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is MPFSGMSERPOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9(2)21-15-11(7-18-21)5-12(8-17-15)19-16(22)13-6-14(23-20-13)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24653896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).