N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine

C18H17N5O3 — CID 178061796

IUPACN-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cc(Nc3cc(OC)c4cnn(C)c4n3)on2)c1
InChIInChI=1S/C18H17N5O3/c1-23-18-13(10-19-23)15(25-3)9-16(21-18)20-17-8-14(22-26-17)11-5-4-6-12(7-11)24-2/h4-10H,1-3H3,(H,20,21)
InChIKeyWGEXYFXKDYZFIK-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.38
Rot. Bonds5

About N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine

N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 178061796) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID178061796
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cc(Nc3cc(OC)c4cnn(C)c4n3)on2)c1
InChIInChI=1S/C18H17N5O3/c1-23-18-13(10-19-23)15(25-3)9-16(21-18)20-17-8-14(22-26-17)11-5-4-6-12(7-11)24-2/h4-10H,1-3H3,(H,20,21)
InChIKeyWGEXYFXKDYZFIK-UHFFFAOYSA-N
XLogP3.38
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061503
3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
cis-(1S,2R)-2-[6-[[3-(3-methoxy-2-pyridinyl)-1,2-oxazol-5-yl]amino]-1-methylpyrazolo[5,4-b]pyridin-4-yl]oxycyclopentan-1-ol
CID 178061845
4-methoxy-1-methyl-N-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061656
N-[3-(3,5-dimethylphenyl)-1-methylpyrazol-5-yl]-4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-amine
CID 178061666
3-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
CID 58157241
6-(3-methoxyphenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803311
4-methoxy-1-methyl-N-[1-methyl-3-(4-methylpyrimidin-2-yl)pyrazol-5-yl]pyrazolo[5,4-b]pyridin-6-amine
CID 178061700
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381
3-(3-methoxyphenyl)-1,2-oxazole-5-carbonitrile
CID 845058
N-(3-fluorophenyl)-6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802909

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine (CID 178061796) is N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2cc(Nc3cc(OC)c4cnn(C)c4n3)on2)c1.
What is the InChIKey of N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is WGEXYFXKDYZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-23-18-13(10-19-23)15(25-3)9-16(21-18)20-17-8-14(22-26-17)11-5-4-6-12(7-11)24-2/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine?
N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 351.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1-methylpyrazolo[5,4-b]pyridin-6-yl)-3-(3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 178061796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).