methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate

C10H11N5S — CID 143219637

IUPACmethyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate
SMILESC=N/N=C(\SC)c1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C10H11N5S/c1-6-8-4-7(10(16-3)15-11-2)5-12-9(8)14-13-6/h4-5H,2H2,1,3H3,(H,12,13,14)/b15-10-
InChIKeyBYOXHZZRAHJORX-GDNBJRDFSA-N
MW233.30 g/mol
LogP1.99
Rot. Bonds2

About methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate

methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate (PubChem CID 143219637) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate.

Molecular Properties

Compound Namemethyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate
PubChem CID143219637
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Namemethyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate
SMILESC=N/N=C(\SC)c1cnc2n[nH]c(C)c2c1
InChIInChI=1S/C10H11N5S/c1-6-8-4-7(10(16-3)15-11-2)5-12-9(8)14-13-6/h4-5H,2H2,1,3H3,(H,12,13,14)/b15-10-
InChIKeyBYOXHZZRAHJORX-GDNBJRDFSA-N
XLogP1.99
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-2H-pyrazolo[3,4-b]pyridine
CID 59424411
5-ethenyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 148629869
5-ethyl-3-methyl-2H-pyrazolo[3,4-b]pyridine
CID 59824877
N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119568411
N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47789841
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 130423530
3-methyl-N-[2-(methylamino)propyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120830779
7-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 127994318
N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide
CID 166218369
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120654061
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119634595
(2,5-dimethylmorpholin-4-yl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 47413889

Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate?
The IUPAC name of methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate (CID 143219637) is methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate.
What is the SMILES notation for methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate?
The canonical SMILES for methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate is C=N/N=C(\SC)c1cnc2n[nH]c(C)c2c1.
What is the InChIKey of methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate?
The InChIKey is BYOXHZZRAHJORX-GDNBJRDFSA-N. The full InChI is InChI=1S/C10H11N5S/c1-6-8-4-7(10(16-3)15-11-2)5-12-9(8)14-13-6/h4-5H,2H2,1,3H3,(H,12,13,14)/b15-10-.
What are the key properties of methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate?
methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate has a molecular weight of 233.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-3-methyl-N-(methylideneamino)-2H-pyrazolo[3,4-b]pyridine-5-carboximidothioate is sourced from PubChem (CID 143219637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).