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

C18H17N5O3 — CID 134190187

IUPAC3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC1(COc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)COC1
InChIInChI=1S/C18H17N5O3/c1-18(8-24-9-18)10-25-17-12-5-4-11(7-14(12)26-23-17)20-16-15-13(21-22-16)3-2-6-19-15/h2-7H,8-10H2,1H3,(H2,20,21,22)
InChIKeyWIWLUXAIZAFZED-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.26
Rot. Bonds5

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

3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190187) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190187
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESCC1(COc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)COC1
InChIInChI=1S/C18H17N5O3/c1-18(8-24-9-18)10-25-17-12-5-4-11(7-14(12)26-23-17)20-16-15-13(21-22-16)3-2-6-19-15/h2-7H,8-10H2,1H3,(H2,20,21,22)
InChIKeyWIWLUXAIZAFZED-UHFFFAOYSA-N
XLogP3.26
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190190
3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190181
3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190030
3-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190177
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
CID 134190254
2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 159340222
piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
CID 134190016
N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190101
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 134190247
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
CID 134190123
N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190259
2,2-dimethyl-N-[2,2,2-trifluoro-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethyl]propanamide
CID 134197670

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190187) is 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CC1(COc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)COC1.
What is the InChIKey of 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is WIWLUXAIZAFZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-18(8-24-9-18)10-25-17-12-5-4-11(7-14(12)26-23-17)20-16-15-13(21-22-16)3-2-6-19-15/h2-7H,8-10H2,1H3,(H2,20,21,22).
What are the key properties of 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 351.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).