3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C16H15N5O — CID 134190246

IUPAC3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C16H15N5O/c1-9(2)14-11-6-5-10(8-13(11)22-21-14)18-16-15-12(19-20-16)4-3-7-17-15/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyPXRSGEZVSDEGOG-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.97
Rot. Bonds3

About 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190246) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190246
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C16H15N5O/c1-9(2)14-11-6-5-10(8-13(11)22-21-14)18-16-15-12(19-20-16)4-3-7-17-15/h3-9H,1-2H3,(H2,18,19,20)
InChIKeyPXRSGEZVSDEGOG-UHFFFAOYSA-N
XLogP3.97
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190246) is 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CC(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is PXRSGEZVSDEGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-9(2)14-11-6-5-10(8-13(11)22-21-14)18-16-15-12(19-20-16)4-3-7-17-15/h3-9H,1-2H3,(H2,18,19,20).
What are the key properties of 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 293.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).