3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C19H13FN6O2 — CID 134190255

IUPAC3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESFc1cncc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
InChIInChI=1S/C19H13FN6O2/c20-11-6-13(9-21-8-11)27-10-16-14-4-3-12(7-17(14)28-26-16)23-19-18-15(24-25-19)2-1-5-22-18/h1-9H,10H2,(H2,23,24,25)
InChIKeyMJLAEXGIMVXYSD-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.96
Rot. Bonds5

About 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190255) has the molecular formula C19H13FN6O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190255
Molecular FormulaC19H13FN6O2
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESFc1cncc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
InChIInChI=1S/C19H13FN6O2/c20-11-6-13(9-21-8-11)27-10-16-14-4-3-12(7-17(14)28-26-16)23-19-18-15(24-25-19)2-1-5-22-18/h1-9H,10H2,(H2,23,24,25)
InChIKeyMJLAEXGIMVXYSD-UHFFFAOYSA-N
XLogP3.96
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189980
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189992
3-(1,1-difluoroethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190146
3-pentan-3-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190210
3-propan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190246
3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189994
US10227343, Example 29
CID 134197820
US10435405, Example 35
CID 134328076
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869480

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190255) is 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is Fc1cncc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.
What is the InChIKey of 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is MJLAEXGIMVXYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O2/c20-11-6-13(9-21-8-11)27-10-16-14-4-3-12(7-17(14)28-26-16)23-19-18-15(24-25-19)2-1-5-22-18/h1-9H,10H2,(H2,23,24,25).
What are the key properties of 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 376.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-3-pyridinyl)oxymethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).