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

C19H14N6O2 — CID 134190254

IUPACN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
SMILESc1cncc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
InChIInChI=1S/C19H14N6O2/c1-3-13(10-20-7-1)26-11-16-14-6-5-12(9-17(14)27-25-16)22-19-18-15(23-24-19)4-2-8-21-18/h1-10H,11H2,(H2,22,23,24)
InChIKeyJPILXZPPJSHXLZ-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.82
Rot. Bonds5

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

N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine (PubChem CID 134190254) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
PubChem CID134190254
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC NameN-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine
SMILESc1cncc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1
InChIInChI=1S/C19H14N6O2/c1-3-13(10-20-7-1)26-11-16-14-6-5-12(9-17(14)27-25-16)22-19-18-15(23-24-19)4-2-8-21-18/h1-10H,11H2,(H2,22,23,24)
InChIKeyJPILXZPPJSHXLZ-UHFFFAOYSA-N
XLogP3.82
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190181
3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190190
3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190030
3-[(3-methyloxetan-3-yl)methoxy]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190187
3-(2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-[1,2]oxazolo[4,5-b]pyridin-6-amine
CID 134190123
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-(oxan-2-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190177
piperidin-1-yl-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
CID 134190016
3-(2,2-dimethylpropyl)-4-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190012
N-(3-propan-2-yl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190101
2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 159340222
N-[3-(oxan-2-ylmethoxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134190259

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine?
The IUPAC name of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine (CID 134190254) is N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine?
The canonical SMILES for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine is c1cncc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.
What is the InChIKey of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine?
The InChIKey is JPILXZPPJSHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-3-13(10-20-7-1)26-11-16-14-6-5-12(9-17(14)27-25-16)22-19-18-15(23-24-19)4-2-8-21-18/h1-10H,11H2,(H2,22,23,24).
What are the key properties of N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine?
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine has a molecular weight of 358.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyridin-3-yloxymethyl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).