6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide

C18H29N5O2S — CID 72843031

IUPAC6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide
SMILESCC(C)CN1CCn2nc(CNC(=O)C3CSC(C)(C)C(=O)N3)cc2C1
InChIInChI=1S/C18H29N5O2S/c1-12(2)9-22-5-6-23-14(10-22)7-13(21-23)8-19-16(24)15-11-26-18(3,4)17(25)20-15/h7,12,15H,5-6,8-11H2,1-4H3,(H,19,24)(H,20,25)
InChIKeyHAYCJMGAUXPBQK-UHFFFAOYSA-N
MW379.53 g/mol
LogP0.98
Rot. Bonds5

About 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide

6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide (PubChem CID 72843031) has the molecular formula C18H29N5O2S and a molecular weight of 379.53 g/mol. Its IUPAC name is 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound Name6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide
PubChem CID72843031
Molecular FormulaC18H29N5O2S
Molecular Weight379.53 g/mol
Exact Mass379.20
IUPAC Name6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide
SMILESCC(C)CN1CCn2nc(CNC(=O)C3CSC(C)(C)C(=O)N3)cc2C1
InChIInChI=1S/C18H29N5O2S/c1-12(2)9-22-5-6-23-14(10-22)7-13(21-23)8-19-16(24)15-11-26-18(3,4)17(25)20-15/h7,12,15H,5-6,8-11H2,1-4H3,(H,19,24)(H,20,25)
InChIKeyHAYCJMGAUXPBQK-UHFFFAOYSA-N
XLogP0.98
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 70715176
6,6-dimethyl-5-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)thiomorpholine-3-carboxamide
CID 74238297
2-(azocan-1-yl)-N-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]acetamide
CID 70759919
1-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide
CID 70777129
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 96576167
2-methyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 72870176
N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 72892667
2-(4-acetylphenoxy)-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70748043
N-[[5-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769724
3-fluoro-4-methoxy-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]benzamide
CID 70714349
N-[(1-ethylbenzimidazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118771248
1-[[5-(2-methylpropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-[(1R)-1-phenylethyl]urea
CID 70758010

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide (CID 72843031) is 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide is CC(C)CN1CCn2nc(CNC(=O)C3CSC(C)(C)C(=O)N3)cc2C1.
What is the InChIKey of 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
The InChIKey is HAYCJMGAUXPBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2S/c1-12(2)9-22-5-6-23-14(10-22)7-13(21-23)8-19-16(24)15-11-26-18(3,4)17(25)20-15/h7,12,15H,5-6,8-11H2,1-4H3,(H,19,24)(H,20,25).
What are the key properties of 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide?
6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[[5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 72843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).