[6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol

C18H19N9O — CID 123871947

IUPAC[6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESC=NN(C)C=C(C)c1cnc2nnn(Cc3ccc4ncc(CO)n4c3)c2n1
InChIInChI=1S/C18H19N9O/c1-12(8-25(3)19-2)15-7-21-17-18(22-15)27(24-23-17)10-13-4-5-16-20-6-14(11-28)26(16)9-13/h4-9,28H,2,10-11H2,1,3H3
InChIKeyAZWSNIZVRDRTGO-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.32
Rot. Bonds6

About [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol

[6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 123871947) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID123871947
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name[6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol
SMILESC=NN(C)C=C(C)c1cnc2nnn(Cc3ccc4ncc(CO)n4c3)c2n1
InChIInChI=1S/C18H19N9O/c1-12(8-25(3)19-2)15-7-21-17-18(22-15)27(24-23-17)10-13-4-5-16-20-6-14(11-28)26(16)9-13/h4-9,28H,2,10-11H2,1,3H3
InChIKeyAZWSNIZVRDRTGO-UHFFFAOYSA-N
XLogP1.32
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol with MolForge

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
US10399985, Example 30
CID 118278101
US10399985, Example 3
CID 91826747
5,8-Dimethyl-2-(2-phenylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71151969
5,8-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyridin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 71153264
US10399985, Example 25
CID 118278077
US10399985, Example 28
CID 118278095
US10399985, Example 18
CID 118278162
US10399985, Example 15
CID 118278198
US10399985, Example 26
CID 118288254
(1-(8-(2,6-dimethylbenzylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-1H-1,2,4-triazol-3-yl)methanol
CID 24889679

Frequently Asked Questions

What is the IUPAC name of [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol (CID 123871947) is [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol is C=NN(C)C=C(C)c1cnc2nnn(Cc3ccc4ncc(CO)n4c3)c2n1.
What is the InChIKey of [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is AZWSNIZVRDRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c1-12(8-25(3)19-2)15-7-21-17-18(22-15)27(24-23-17)10-13-4-5-16-20-6-14(11-28)26(16)9-13/h4-9,28H,2,10-11H2,1,3H3.
What are the key properties of [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol?
[6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 377.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-[1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 123871947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).