[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid

C14H15N7O4 — CID 130276100

IUPAC[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid
SMILESO=C(O)NCC(=O)N1c2ncccc2CC1C(=O)NCc1cn[nH]n1
InChIInChI=1S/C14H15N7O4/c22-11(7-17-14(24)25)21-10(4-8-2-1-3-15-12(8)21)13(23)16-5-9-6-18-20-19-9/h1-3,6,10,17H,4-5,7H2,(H,16,23)(H,24,25)(H,18,19,20)
InChIKeyDSUBVKXDXBMMIE-UHFFFAOYSA-N
MW345.32 g/mol
LogP-0.96
Rot. Bonds5

About [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid

[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid (PubChem CID 130276100) has the molecular formula C14H15N7O4 and a molecular weight of 345.32 g/mol. Its IUPAC name is [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid
PubChem CID130276100
Molecular FormulaC14H15N7O4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid
SMILESO=C(O)NCC(=O)N1c2ncccc2CC1C(=O)NCc1cn[nH]n1
InChIInChI=1S/C14H15N7O4/c22-11(7-17-14(24)25)21-10(4-8-2-1-3-15-12(8)21)13(23)16-5-9-6-18-20-19-9/h1-3,6,10,17H,4-5,7H2,(H,16,23)(H,24,25)(H,18,19,20)
InChIKeyDSUBVKXDXBMMIE-UHFFFAOYSA-N
XLogP-0.96
TPSA153.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
CID 130276110
tert-butyl-[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydroindol-1-yl]ethyl]carbamic acid
CID 118953249
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-2,3-dihydropyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 130277110
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
4-amino-5-oxo-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
CID 145006076
N-(2H-triazol-4-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 131204421
6-methoxy-1-[2-[[(2S,3S)-3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]acetyl]-N-(2H-triazol-4-ylmethyl)-2,3-dihydroindole-2-carboxamide
CID 118953481
2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
CID 91038203
(2S)-1-[2-[[(2S)-2-[(2S)-butan-2-yl]-4-oxo-5-phenylpentanoyl]amino]acetyl]-2,3-dihydroindole-2-carboxylic acid;(2S)-1-[2-[[(2S)-2-[(2S)-butan-2-yl]-4-oxo-5-phenylpentanoyl]amino]acetyl]-N-(2H-triazol-4-ylmethyl)-2,3-dihydroindole-2-carboxamide;3H-pyrazol-4-ylmethanamine
CID 162098692
(2S,11S)-11-(tert-butylamino)-12-oxo-N-(2H-triazol-4-ylmethyl)-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxamide
CID 153411909
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 155952931
5-oxo-4-[(2-phenylacetyl)amino]-5-[2-(2H-tetrazol-5-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pentanoic acid
CID 130276711

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid?
The IUPAC name of [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid (CID 130276100) is [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid?
The canonical SMILES for [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid is O=C(O)NCC(=O)N1c2ncccc2CC1C(=O)NCc1cn[nH]n1.
What is the InChIKey of [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid?
The InChIKey is DSUBVKXDXBMMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4/c22-11(7-17-14(24)25)21-10(4-8-2-1-3-15-12(8)21)13(23)16-5-9-6-18-20-19-9/h1-3,6,10,17H,4-5,7H2,(H,16,23)(H,24,25)(H,18,19,20).
What are the key properties of [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid?
[2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid has a molecular weight of 345.32 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2H-triazol-4-ylmethylcarbamoyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethyl]carbamic acid is sourced from PubChem (CID 130276100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).