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

C17H16FN5O — CID 134190042

IUPAC3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC(F)C(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H16FN5O/c1-9(10(2)18)15-12-6-5-11(8-14(12)24-23-15)20-17-16-13(21-22-17)4-3-7-19-16/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyQIGFUIVZQQZVBS-UHFFFAOYSA-N
MW325.35 g/mol
LogP4.30
Rot. Bonds4

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

3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190042) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190042
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC(F)C(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C17H16FN5O/c1-9(10(2)18)15-12-6-5-11(8-14(12)24-23-15)20-17-16-13(21-22-17)4-3-7-19-16/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyQIGFUIVZQQZVBS-UHFFFAOYSA-N
XLogP4.30
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190042) is 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CC(F)C(C)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is QIGFUIVZQQZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-9(10(2)18)15-12-6-5-11(8-14(12)24-23-15)20-17-16-13(21-22-17)4-3-7-19-16/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 325.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).