N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide

C13H15N5O2 — CID 166218369

IUPACN-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C1
InChIInChI=1S/C13H15N5O2/c1-7-10-3-8(4-15-11(10)17-16-7)13(20)18-5-9(6-18)12(19)14-2/h3-4,9H,5-6H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyOJDYXCSJOIDULL-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.08
Rot. Bonds2

About N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide

N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide (PubChem CID 166218369) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide
PubChem CID166218369
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C1
InChIInChI=1S/C13H15N5O2/c1-7-10-3-8(4-15-11(10)17-16-7)13(20)18-5-9(6-18)12(19)14-2/h3-4,9H,5-6H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyOJDYXCSJOIDULL-UHFFFAOYSA-N
XLogP0.08
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 166254692
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119652126
(2,5-dimethylmorpholin-4-yl)-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 47413889
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95768735
N-[[1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968715
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
(2S)-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365779
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119634595
[2-(4-chlorophenyl)azepan-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 130423609
N-cyclohexyl-N-cyclopropyl-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47789841
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 95580398
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119429140

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide (CID 166218369) is N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide is CNC(=O)C1CN(C(=O)c2cnc3n[nH]c(C)c3c2)C1.
What is the InChIKey of N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide?
The InChIKey is OJDYXCSJOIDULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-7-10-3-8(4-15-11(10)17-16-7)13(20)18-5-9(6-18)12(19)14-2/h3-4,9H,5-6H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide?
N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 166218369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).