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

C20H14FN5O2 — CID 134190036

IUPAC3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESFc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
InChIInChI=1S/C20H14FN5O2/c21-12-3-1-4-14(9-12)27-11-17-15-7-6-13(10-18(15)28-26-17)23-20-19-16(24-25-20)5-2-8-22-19/h1-10H,11H2,(H2,23,24,25)
InChIKeyHPZJMQQUFHBWGW-UHFFFAOYSA-N
MW375.36 g/mol
LogP4.56
Rot. Bonds5

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

3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190036) has the molecular formula C20H14FN5O2 and a molecular weight of 375.36 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190036
Molecular FormulaC20H14FN5O2
Molecular Weight375.36 g/mol
Exact Mass375.11
IUPAC Name3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESFc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
InChIInChI=1S/C20H14FN5O2/c21-12-3-1-4-14(9-12)27-11-17-15-7-6-13(10-18(15)28-26-17)23-20-19-16(24-25-20)5-2-8-22-19/h1-10H,11H2,(H2,23,24,25)
InChIKeyHPZJMQQUFHBWGW-UHFFFAOYSA-N
XLogP4.56
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190036) is 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is Fc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is HPZJMQQUFHBWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O2/c21-12-3-1-4-14(9-12)27-11-17-15-7-6-13(10-18(15)28-26-17)23-20-19-16(24-25-20)5-2-8-22-19/h1-10H,11H2,(H2,23,24,25).
What are the key properties of 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 375.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).