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

C19H20FN5O — CID 134190092

IUPAC3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCCCCC(C)(F)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C19H20FN5O/c1-3-4-9-19(2,20)17-13-8-7-12(11-15(13)26-25-17)22-18-16-14(23-24-18)6-5-10-21-16/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,23,24)
InChIKeyPZAVWDFQZYNNKY-UHFFFAOYSA-N
MW353.40 g/mol
LogP5.22
Rot. Bonds6

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

3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190092) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190092
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCCCCC(C)(F)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C19H20FN5O/c1-3-4-9-19(2,20)17-13-8-7-12(11-15(13)26-25-17)22-18-16-14(23-24-18)6-5-10-21-16/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,23,24)
InChIKeyPZAVWDFQZYNNKY-UHFFFAOYSA-N
XLogP5.22
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190092) is 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CCCCC(C)(F)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is PZAVWDFQZYNNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-3-4-9-19(2,20)17-13-8-7-12(11-15(13)26-25-17)22-18-16-14(23-24-18)6-5-10-21-16/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,23,24).
What are the key properties of 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 353.40 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).