5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

C18H15N7O3 — CID 158307453

IUPAC5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1cnc2[nH]cc(C(=O)N=[N+]=[N-])c2c1.Cc1cnc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C9H7N5O.C9H8N2O2/c1-5-2-6-7(9(15)13-14-10)4-12-8(6)11-3-5;1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,11,12);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGNGIJHMUYPNJIG-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.89
Rot. Bonds2

About 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 158307453) has the molecular formula C18H15N7O3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID158307453
Molecular FormulaC18H15N7O3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCc1cnc2[nH]cc(C(=O)N=[N+]=[N-])c2c1.Cc1cnc2[nH]cc(C(=O)O)c2c1
InChIInChI=1S/C9H7N5O.C9H8N2O2/c1-5-2-6-7(9(15)13-14-10)4-12-8(6)11-3-5;1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,11,12);2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGNGIJHMUYPNJIG-UHFFFAOYSA-N
XLogP3.89
TPSA160.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid 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

4-{5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl}benzoic acid
CID 11544170
methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 21110084
1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid
CID 10154191
3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 11953130
N-(pyridin-3-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 135862901
(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinic acid
CID 68029369
N-(pyridin-4-ylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136247011
5-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 162672736
3-[4-[(3S)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzoic acid
CID 72706340
methyl 5-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 137633134
4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzoic acid
CID 137638705
methyl 5-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 137651981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 158307453) is 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is Cc1cnc2[nH]cc(C(=O)N=[N+]=[N-])c2c1.Cc1cnc2[nH]cc(C(=O)O)c2c1.
What is the InChIKey of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is GNGIJHMUYPNJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O.C9H8N2O2/c1-5-2-6-7(9(15)13-14-10)4-12-8(6)11-3-5;1-5-2-6-7(9(12)13)4-11-8(6)10-3-5/h2-4H,1H3,(H,11,12);2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid?
5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 377.36 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide;5-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 158307453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).