3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid

C15H14N6O4 — CID 175306138

IUPAC3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
SMILESO=C(c1cccnc1)N1Cc2c(N3CCNC3=O)nn(C(=O)O)c2C1
InChIInChI=1S/C15H14N6O4/c22-13(9-2-1-3-16-6-9)19-7-10-11(8-19)21(15(24)25)18-12(10)20-5-4-17-14(20)23/h1-3,6H,4-5,7-8H2,(H,17,23)(H,24,25)
InChIKeyZAGGAXPQHVYFNS-UHFFFAOYSA-N
MW342.32 g/mol
LogP0.49
Rot. Bonds2

About 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid

3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid (PubChem CID 175306138) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
PubChem CID175306138
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC Name3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid
SMILESO=C(c1cccnc1)N1Cc2c(N3CCNC3=O)nn(C(=O)O)c2C1
InChIInChI=1S/C15H14N6O4/c22-13(9-2-1-3-16-6-9)19-7-10-11(8-19)21(15(24)25)18-12(10)20-5-4-17-14(20)23/h1-3,6H,4-5,7-8H2,(H,17,23)(H,24,25)
InChIKeyZAGGAXPQHVYFNS-UHFFFAOYSA-N
XLogP0.49
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(pyridine-3-carbonyl)imidazolidin-2-one
CID 57266793
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
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(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
pyridin-3-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808493
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone
CID 167130728
N-ethyl-N-propan-2-yl-4-(pyridine-3-carbonyl)piperazine-1-carboxamide
CID 75507541
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
The IUPAC name of 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid (CID 175306138) is 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid is O=C(c1cccnc1)N1Cc2c(N3CCNC3=O)nn(C(=O)O)c2C1.
What is the InChIKey of 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
The InChIKey is ZAGGAXPQHVYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c22-13(9-2-1-3-16-6-9)19-7-10-11(8-19)21(15(24)25)18-12(10)20-5-4-17-14(20)23/h1-3,6H,4-5,7-8H2,(H,17,23)(H,24,25).
What are the key properties of 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid?
3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxoimidazolidin-1-yl)-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-1-carboxylic acid is sourced from PubChem (CID 175306138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).