2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide

C16H15N5O3 — CID 77082971

IUPAC2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H15N5O3/c22-14(17-7-13-9-2-1-3-10(9)20-21-13)8-4-5-11-12(6-8)19-16(24)15(23)18-11/h4-6H,1-3,7H2,(H,17,22)(H,18,23)(H,19,24)(H,20,21)
InChIKeyMCGKIFIEKLSTFW-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.36
Rot. Bonds3

About 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide

2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 77082971) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID77082971
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCC2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H15N5O3/c22-14(17-7-13-9-2-1-3-10(9)20-21-13)8-4-5-11-12(6-8)19-16(24)15(23)18-11/h4-6H,1-3,7H2,(H,17,22)(H,18,23)(H,19,24)(H,20,21)
InChIKeyMCGKIFIEKLSTFW-UHFFFAOYSA-N
XLogP0.36
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 118765312
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
6-(methylsulfamoyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyridine-3-carboxamide
CID 122153605
3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
CID 138806777
6-bromo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)quinazoline-2-carboxamide
CID 166303387
N-(2-morpholin-4-ylethyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474561
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 121497108
2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
CID 77088501
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42289594

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide (CID 77082971) is 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide is O=C(NCc1n[nH]c2c1CCC2)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is MCGKIFIEKLSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-14(17-7-13-9-2-1-3-10(9)20-21-13)8-4-5-11-12(6-8)19-16(24)15(23)18-11/h4-6H,1-3,7H2,(H,17,22)(H,18,23)(H,19,24)(H,20,21).
What are the key properties of 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide?
2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 77082971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).