[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone

C17H28N6O — CID 134075143

IUPAC[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3C(C2)NNC3CN(C)C(C)C)cn1
InChIInChI=1S/C17H28N6O/c1-11(2)22(4)9-15-13-5-6-23(10-16(13)21-20-15)17(24)14-8-18-12(3)7-19-14/h7-8,11,13,15-16,20-21H,5-6,9-10H2,1-4H3
InChIKeyYPLDZQAGRXHIBU-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.43
Rot. Bonds4

About [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone

[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 134075143) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID134075143
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC3C(C2)NNC3CN(C)C(C)C)cn1
InChIInChI=1S/C17H28N6O/c1-11(2)22(4)9-15-13-5-6-23(10-16(13)21-20-15)17(24)14-8-18-12(3)7-19-14/h7-8,11,13,15-16,20-21H,5-6,9-10H2,1-4H3
InChIKeyYPLDZQAGRXHIBU-UHFFFAOYSA-N
XLogP0.43
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Related Compounds

N-methyl-N-[[6-(6-methylpyridazin-3-yl)-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-3-yl]methyl]propan-2-amine
CID 134071728
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
(5-amino-2-pyridinyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 81310117
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 63264092
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(5-methylpyrazin-2-yl)methanone
CID 97377160
[3-[[methyl(propan-2-yl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(5-methylpyrazin-2-yl)methanone
CID 97390192
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(5-methylpyrazin-2-yl)-[(3R)-3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 92627535
(5-methylpyrazin-2-yl)-[3-(3-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)pyrrolidin-1-yl]methanone
CID 46973257
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 97271614
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone (CID 134075143) is [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC3C(C2)NNC3CN(C)C(C)C)cn1.
What is the InChIKey of [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is YPLDZQAGRXHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-11(2)22(4)9-15-13-5-6-23(10-16(13)21-20-15)17(24)14-8-18-12(3)7-19-14/h7-8,11,13,15-16,20-21H,5-6,9-10H2,1-4H3.
What are the key properties of [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone?
[3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 332.45 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propan-2-yl)amino]methyl]-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 134075143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).