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

C15H13N5O — CID 134189964

IUPAC3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C15H13N5O/c1-2-11-10-6-5-9(8-13(10)21-20-11)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,2H2,1H3,(H2,17,18,19)
InChIKeyPPHTWUAKTMFTTE-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.41
Rot. Bonds3

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

3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134189964) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134189964
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C15H13N5O/c1-2-11-10-6-5-9(8-13(10)21-20-11)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,2H2,1H3,(H2,17,18,19)
InChIKeyPPHTWUAKTMFTTE-UHFFFAOYSA-N
XLogP3.41
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134189964) is 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is PPHTWUAKTMFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-2-11-10-6-5-9(8-13(10)21-20-11)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,2H2,1H3,(H2,17,18,19).
What are the key properties of 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 279.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134189964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).