[1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone

C19H19N3O3 — CID 17455897

IUPAC[1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(cnn3C(C)C3CC3)c2)c1
InChIInChI=1S/C19H19N3O3/c1-11(12-3-4-12)22-19-14(10-21-22)7-13(9-20-19)18(24)16-8-15(25-2)5-6-17(16)23/h5-12,23H,3-4H2,1-2H3
InChIKeyWMLPZVLRGQTNSM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.35
Rot. Bonds5

About [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone

[1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 17455897) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID17455897
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(cnn3C(C)C3CC3)c2)c1
InChIInChI=1S/C19H19N3O3/c1-11(12-3-4-12)22-19-14(10-21-22)7-13(9-20-19)18(24)16-8-15(25-2)5-6-17(16)23/h5-12,23H,3-4H2,1-2H3
InChIKeyWMLPZVLRGQTNSM-UHFFFAOYSA-N
XLogP3.35
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone (CID 17455897) is [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)c2cnc3c(cnn3C(C)C3CC3)c2)c1.
What is the InChIKey of [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is WMLPZVLRGQTNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11(12-3-4-12)22-19-14(10-21-22)7-13(9-20-19)18(24)16-8-15(25-2)5-6-17(16)23/h5-12,23H,3-4H2,1-2H3.
What are the key properties of [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone?
[1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 337.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopropylethyl)pyrazolo[3,4-b]pyridin-5-yl]-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 17455897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).