5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C21H29N5O3S — CID 46278869

IUPAC5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCCc3cccs3)cc2C(=O)N1C
InChIInChI=1S/C21H29N5O3S/c1-14(2)7-9-23-20(29)21(3)13-26-17(19(28)25(21)4)12-16(24-26)18(27)22-10-8-15-6-5-11-30-15/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,22,27)(H,23,29)
InChIKeyNOMGNYRFRAVBDA-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.92
Rot. Bonds8

About 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 46278869) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID46278869
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC Name5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCCc3cccs3)cc2C(=O)N1C
InChIInChI=1S/C21H29N5O3S/c1-14(2)7-9-23-20(29)21(3)13-26-17(19(28)25(21)4)12-16(24-26)18(27)22-10-8-15-6-5-11-30-15/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,22,27)(H,23,29)
InChIKeyNOMGNYRFRAVBDA-UHFFFAOYSA-N
XLogP1.92
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopentyl-3-ethyl-6-thiophen-2-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10710468
1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 129226880
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)thiophene-2-carboxamide
CID 658972
1-Cyclopentyl-3-ethyl-6-thiophen-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10734134
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919719
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 129226288
US9776991, Example 13
CID 139208211
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(thiophen-2-YL)methyl]propanamide
CID 20919700
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 24792052
5-methyl-2-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 5214853
N-({1-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}methyl)thiophene-2-sulfonamide
CID 16187961

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 46278869) is 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CC(C)CCNC(=O)C1(C)Cn2nc(C(=O)NCCc3cccs3)cc2C(=O)N1C.
What is the InChIKey of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is NOMGNYRFRAVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-14(2)7-9-23-20(29)21(3)13-26-17(19(28)25(21)4)12-16(24-26)18(27)22-10-8-15-6-5-11-30-15/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,22,27)(H,23,29).
What are the key properties of 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 431.56 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-6-N-(3-methylbutyl)-4-oxo-2-N-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 46278869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).