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

C18H27N5O — CID 134127697

IUPAC(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCN1CCC2NNC(C(=O)N3CCCCC3c3cccnc3)C2C1
InChIInChI=1S/C18H27N5O/c1-22-10-7-15-14(12-22)17(21-20-15)18(24)23-9-3-2-6-16(23)13-5-4-8-19-11-13/h4-5,8,11,14-17,20-21H,2-3,6-7,9-10,12H2,1H3
InChIKeyMZEVPCTXUZMHTO-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.93
Rot. Bonds2

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

(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 134127697) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID134127697
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCN1CCC2NNC(C(=O)N3CCCCC3c3cccnc3)C2C1
InChIInChI=1S/C18H27N5O/c1-22-10-7-15-14(12-22)17(21-20-15)18(24)23-9-3-2-6-16(23)13-5-4-8-19-11-13/h4-5,8,11,14-17,20-21H,2-3,6-7,9-10,12H2,1H3
InChIKeyMZEVPCTXUZMHTO-UHFFFAOYSA-N
XLogP0.93
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
CID 78083705
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 102777436
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 134127697) is (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is CN1CCC2NNC(C(=O)N3CCCCC3c3cccnc3)C2C1.
What is the InChIKey of (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is MZEVPCTXUZMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-22-10-7-15-14(12-22)17(21-20-15)18(24)23-9-3-2-6-16(23)13-5-4-8-19-11-13/h4-5,8,11,14-17,20-21H,2-3,6-7,9-10,12H2,1H3.
What are the key properties of (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 329.45 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134127697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).