3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine

C17H22N4O — CID 178015899

IUPAC3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine
SMILESC=C/C(=C\C)c1cc(N2CCOCC2C)nc2n[nH]c(C)c12
InChIInChI=1S/C17H22N4O/c1-5-13(6-2)14-9-15(21-7-8-22-10-11(21)3)18-17-16(14)12(4)19-20-17/h5-6,9,11H,1,7-8,10H2,2-4H3,(H,18,19,20)/b13-6+
InChIKeyARADHHWOCHQZRQ-AWNIVKPZSA-N
MW298.39 g/mol
LogP3.08
Rot. Bonds3

About 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine

3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine (PubChem CID 178015899) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine.

Molecular Properties

Compound Name3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine
PubChem CID178015899
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine
SMILESC=C/C(=C\C)c1cc(N2CCOCC2C)nc2n[nH]c(C)c12
InChIInChI=1S/C17H22N4O/c1-5-13(6-2)14-9-15(21-7-8-22-10-11(21)3)18-17-16(14)12(4)19-20-17/h5-6,9,11H,1,7-8,10H2,2-4H3,(H,18,19,20)/b13-6+
InChIKeyARADHHWOCHQZRQ-AWNIVKPZSA-N
XLogP3.08
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridin-6-yl)-3-methylmorpholine
CID 178015868
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
methyl 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[4,5-b]pyridine-7-carboxylate
CID 151820966
6-(3-methylmorpholin-4-yl)pyridine-2,3-diamine
CID 79826016
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
(3R)-3-methyl-4-[3-(5-methyl-1H-pyrazol-3-yl)-7-(oxan-4-yl)-[1,2]thiazolo[4,5-b]pyridin-5-yl]morpholine
CID 175565529
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine?
The IUPAC name of 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine (CID 178015899) is 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine.
What is the SMILES notation for 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine?
The canonical SMILES for 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine is C=C/C(=C\C)c1cc(N2CCOCC2C)nc2n[nH]c(C)c12.
What is the InChIKey of 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine?
The InChIKey is ARADHHWOCHQZRQ-AWNIVKPZSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-13(6-2)14-9-15(21-7-8-22-10-11(21)3)18-17-16(14)12(4)19-20-17/h5-6,9,11H,1,7-8,10H2,2-4H3,(H,18,19,20)/b13-6+.
What are the key properties of 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine?
3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine has a molecular weight of 298.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2H-pyrazolo[3,4-b]pyridin-6-yl]morpholine is sourced from PubChem (CID 178015899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).