2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine

C18H29N7O2 — CID 166092111

IUPAC2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine
SMILESCC(C)(O)c1cc(N2CCOCC2)nc2c1cnn2/C(N)=C/C=C\N.CN
InChIInChI=1S/C17H24N6O2.CH5N/c1-17(2,24)13-10-15(22-6-8-25-9-7-22)21-16-12(13)11-20-23(16)14(19)4-3-5-18;1-2/h3-5,10-11,24H,6-9,18-19H2,1-2H3;2H2,1H3/b5-3-,14-4+;
InChIKeyACDMMMDONKBGSN-PJBLYWRVSA-N
MW375.48 g/mol
LogP0.30
Rot. Bonds4

About 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine

2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine (PubChem CID 166092111) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine.

Molecular Properties

Compound Name2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine
PubChem CID166092111
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC Name2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine
SMILESCC(C)(O)c1cc(N2CCOCC2)nc2c1cnn2/C(N)=C/C=C\N.CN
InChIInChI=1S/C17H24N6O2.CH5N/c1-17(2,24)13-10-15(22-6-8-25-9-7-22)21-16-12(13)11-20-23(16)14(19)4-3-5-18;1-2/h3-5,10-11,24H,6-9,18-19H2,1-2H3;2H2,1H3/b5-3-,14-4+;
InChIKeyACDMMMDONKBGSN-PJBLYWRVSA-N
XLogP0.30
TPSA141.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol
CID 156754126
methanamine;(3Z)-6-methyl-5-(trifluoromethyl)hepta-1,3,5-triene;4-[6-morpholin-4-yl-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]heptan-4-ol
CID 155585631
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
(Z)-3-amino-N'-[4-(2-cyanopropan-2-yl)-6-morpholin-4-yl-3-prop-2-enimidoyl-2-pyridinyl]prop-2-enimidamide
CID 155585621
4-(1-methylpyrido[3,4-d]pyridazin-7-yl)morpholine
CID 175916253
1-[1-(1-amino-3-iminoprop-1-enyl)-6-[(3R)-3-methylmorpholin-4-yl]pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 174025535
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
3,4-dimethyl-6-morpholin-4-ylpyridine-2-carboxamide
CID 175406117
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-(6-chloro-4-methylquinolin-2-yl)morpholine
CID 1477208
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine?
The IUPAC name of 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine (CID 166092111) is 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine.
What is the SMILES notation for 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine?
The canonical SMILES for 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine is CC(C)(O)c1cc(N2CCOCC2)nc2c1cnn2/C(N)=C/C=C\N.CN.
What is the InChIKey of 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine?
The InChIKey is ACDMMMDONKBGSN-PJBLYWRVSA-N. The full InChI is InChI=1S/C17H24N6O2.CH5N/c1-17(2,24)13-10-15(22-6-8-25-9-7-22)21-16-12(13)11-20-23(16)14(19)4-3-5-18;1-2/h3-5,10-11,24H,6-9,18-19H2,1-2H3;2H2,1H3/b5-3-,14-4+;.
What are the key properties of 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine?
2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine has a molecular weight of 375.48 g/mol, XLogP of 0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]-6-morpholin-4-ylpyrazolo[5,4-b]pyridin-4-yl]propan-2-ol;methanamine is sourced from PubChem (CID 166092111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).