(3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid

C17H17N5O4 — CID 56902215

IUPAC(3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
SMILESCc1c(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)cnn1-c1ccccn1
InChIInChI=1S/C17H17N5O4/c1-10-11(6-20-22(10)13-4-2-3-5-18-13)15(24)21-7-12-14(23)19-8-17(12,9-21)16(25)26/h2-6,12H,7-9H2,1H3,(H,19,23)(H,25,26)/t12-,17+/m0/s1
InChIKeyUDCHSZONYHATTN-YVEFUNNKSA-N
MW355.35 g/mol
LogP-0.15
Rot. Bonds3

About (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid

(3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid (PubChem CID 56902215) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid.

Molecular Properties

Compound Name(3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
PubChem CID56902215
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name(3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
SMILESCc1c(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)cnn1-c1ccccn1
InChIInChI=1S/C17H17N5O4/c1-10-11(6-20-22(10)13-4-2-3-5-18-13)15(24)21-7-12-14(23)19-8-17(12,9-21)16(25)26/h2-6,12H,7-9H2,1H3,(H,19,23)(H,25,26)/t12-,17+/m0/s1
InChIKeyUDCHSZONYHATTN-YVEFUNNKSA-N
XLogP-0.15
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid with MolForge

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Related Compounds

(8aR)-7-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126441579
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 122569864
(3aS,6aR)-3-oxo-5-(3-phenyl-1,2-oxazole-5-carbonyl)-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid
CID 56888205
[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 97066486
N-(2,6-dioxopiperidin-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 146129208
5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038102
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 119042010
(3,5-dimethylpyrazol-1-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 15944096
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
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[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid?
The IUPAC name of (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid (CID 56902215) is (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid.
What is the SMILES notation for (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid?
The canonical SMILES for (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid is Cc1c(C(=O)N2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)cnn1-c1ccccn1.
What is the InChIKey of (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid?
The InChIKey is UDCHSZONYHATTN-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-10-11(6-20-22(10)13-4-2-3-5-18-13)15(24)21-7-12-14(23)19-8-17(12,9-21)16(25)26/h2-6,12H,7-9H2,1H3,(H,19,23)(H,25,26)/t12-,17+/m0/s1.
What are the key properties of (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid?
(3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid has a molecular weight of 355.35 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-3-oxo-2,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carboxylic acid is sourced from PubChem (CID 56902215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).