2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide

C20H37N5O — CID 168830450

IUPAC2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1CN2CC(C3CCCCC3)CC(C3CCN(C)N3)C2N1
InChIInChI=1S/C20H37N5O/c1-21-19(26)11-16-13-25-12-15(14-6-4-3-5-7-14)10-17(20(25)22-16)18-8-9-24(2)23-18/h14-18,20,22-23H,3-13H2,1-2H3,(H,21,26)
InChIKeyQVYHSPRMUOIRQN-UHFFFAOYSA-N
MW363.55 g/mol
LogP1.15
Rot. Bonds4

About 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide

2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide (PubChem CID 168830450) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide
PubChem CID168830450
Molecular FormulaC20H37N5O
Molecular Weight363.55 g/mol
Exact Mass363.30
IUPAC Name2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CC1CN2CC(C3CCCCC3)CC(C3CCN(C)N3)C2N1
InChIInChI=1S/C20H37N5O/c1-21-19(26)11-16-13-25-12-15(14-6-4-3-5-7-14)10-17(20(25)22-16)18-8-9-24(2)23-18/h14-18,20,22-23H,3-13H2,1-2H3,(H,21,26)
InChIKeyQVYHSPRMUOIRQN-UHFFFAOYSA-N
XLogP1.15
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide (CID 168830450) is 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide is CNC(=O)CC1CN2CC(C3CCCCC3)CC(C3CCN(C)N3)C2N1.
What is the InChIKey of 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide?
The InChIKey is QVYHSPRMUOIRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O/c1-21-19(26)11-16-13-25-12-15(14-6-4-3-5-7-14)10-17(20(25)22-16)18-8-9-24(2)23-18/h14-18,20,22-23H,3-13H2,1-2H3,(H,21,26).
What are the key properties of 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide?
2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide has a molecular weight of 363.55 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclohexyl-8-(1-methylpyrazolidin-3-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 168830450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).