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

C18H17N5O — CID 134189963

IUPAC3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17/h3,6-11H,1-2,4-5H2,(H2,20,21,22)
InChIKeyIOYRCCMKOONVPD-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.50
Rot. Bonds3

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

3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134189963) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134189963
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C18H17N5O/c1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17/h3,6-11H,1-2,4-5H2,(H2,20,21,22)
InChIKeyIOYRCCMKOONVPD-UHFFFAOYSA-N
XLogP4.50
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134189963) is 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is c1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)n[nH]c2c1.
What is the InChIKey of 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is IOYRCCMKOONVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17/h3,6-11H,1-2,4-5H2,(H2,20,21,22).
What are the key properties of 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 319.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134189963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).