3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

C15H11N7O — CID 90844902

IUPAC3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2c[nH]c3ncc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C15H11N7O/c16-13(23)9-3-1-2-8(4-9)12-7-18-15-11(12)5-10(6-17-15)14-19-21-22-20-14/h1-7H,(H2,16,23)(H,17,18)(H,19,20,21,22)
InChIKeyPPYZAZFDMKCVLJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.51
Rot. Bonds3

About 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 90844902) has the molecular formula C15H11N7O and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
PubChem CID90844902
Molecular FormulaC15H11N7O
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2c[nH]c3ncc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C15H11N7O/c16-13(23)9-3-1-2-8(4-9)12-7-18-15-11(12)5-10(6-17-15)14-19-21-22-20-14/h1-7H,(H2,16,23)(H,17,18)(H,19,20,21,22)
InChIKeyPPYZAZFDMKCVLJ-UHFFFAOYSA-N
XLogP1.51
TPSA126.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
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3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
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5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
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4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
CID 46234350
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2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(2H-tetrazol-5-yl)phenol
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N-(5-ethyl-1H-pyrazol-3-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 104619491
3-[5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-propylbenzamide
CID 59811920
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
N-[3-[3-[5-(methylamino)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
CID 135258327
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 90844902) is 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is NC(=O)c1cccc(-c2c[nH]c3ncc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is PPYZAZFDMKCVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O/c16-13(23)9-3-1-2-8(4-9)12-7-18-15-11(12)5-10(6-17-15)14-19-21-22-20-14/h1-7H,(H2,16,23)(H,17,18)(H,19,20,21,22).
What are the key properties of 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 305.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 90844902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).