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

C17H15N5O — CID 134189980

IUPAC3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(C5CCC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C17H15N5O/c1-3-10(4-1)15-12-7-6-11(9-14(12)23-22-15)19-17-16-13(20-21-17)5-2-8-18-16/h2,5-10H,1,3-4H2,(H2,19,20,21)
InChIKeyOLSPMXKEUIQWLE-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.11
Rot. Bonds3

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

3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134189980) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134189980
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(C5CCC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C17H15N5O/c1-3-10(4-1)15-12-7-6-11(9-14(12)23-22-15)19-17-16-13(20-21-17)5-2-8-18-16/h2,5-10H,1,3-4H2,(H2,19,20,21)
InChIKeyOLSPMXKEUIQWLE-UHFFFAOYSA-N
XLogP4.11
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189963
3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189964
3-(2-methylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189970
3-cyclopentyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134189978
3-cyclobutyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134189979
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189992
3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190027
3-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190146
3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
CID 134190172
3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
CID 134190173
3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine
CID 134190176
3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190209

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134189980) is 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is c1cnc2c(Nc3ccc4c(C5CCC5)noc4c3)n[nH]c2c1.
What is the InChIKey of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is OLSPMXKEUIQWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-3-10(4-1)15-12-7-6-11(9-14(12)23-22-15)19-17-16-13(20-21-17)5-2-8-18-16/h2,5-10H,1,3-4H2,(H2,19,20,21).
What are the key properties of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 305.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134189980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).