(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol

C19H22N4O2 — CID 174510639

IUPAC(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol
SMILESCCn1ncc2c(-c3cncc(C)c3)c(C/C=C/O)c(COC)nc21
InChIInChI=1S/C19H22N4O2/c1-4-23-19-16(11-21-23)18(14-8-13(2)9-20-10-14)15(6-5-7-24)17(22-19)12-25-3/h5,7-11,24H,4,6,12H2,1-3H3/b7-5+
InChIKeyYTZYHZRPDUYQLW-FNORWQNLSA-N
MW338.41 g/mol
LogP3.58
Rot. Bonds6

About (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol

(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol (PubChem CID 174510639) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol
PubChem CID174510639
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol
SMILESCCn1ncc2c(-c3cncc(C)c3)c(C/C=C/O)c(COC)nc21
InChIInChI=1S/C19H22N4O2/c1-4-23-19-16(11-21-23)18(14-8-13(2)9-20-10-14)15(6-5-7-24)17(22-19)12-25-3/h5,7-11,24H,4,6,12H2,1-3H3/b7-5+
InChIKeyYTZYHZRPDUYQLW-FNORWQNLSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol?
The IUPAC name of (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol (CID 174510639) is (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol.
What is the SMILES notation for (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol?
The canonical SMILES for (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol is CCn1ncc2c(-c3cncc(C)c3)c(C/C=C/O)c(COC)nc21.
What is the InChIKey of (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol?
The InChIKey is YTZYHZRPDUYQLW-FNORWQNLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-23-19-16(11-21-23)18(14-8-13(2)9-20-10-14)15(6-5-7-24)17(22-19)12-25-3/h5,7-11,24H,4,6,12H2,1-3H3/b7-5+.
What are the key properties of (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol?
(E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol has a molecular weight of 338.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]prop-1-en-1-ol is sourced from PubChem (CID 174510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).