(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

C20H26N4OS — CID 72905582

IUPAC(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)c1csc3c1CCCC3)CC2
InChIInChI=1S/C20H26N4OS/c1-23-9-6-16-18(22-13-21-16)20(23)7-10-24(11-8-20)19(25)15-12-26-17-5-3-2-4-14(15)17/h12-13H,2-11H2,1H3,(H,21,22)
InChIKeyMGJVLJKYCJTQMI-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.97
Rot. Bonds1

About (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (PubChem CID 72905582) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
PubChem CID72905582
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)c1csc3c1CCCC3)CC2
InChIInChI=1S/C20H26N4OS/c1-23-9-6-16-18(22-13-21-16)20(23)7-10-24(11-8-20)19(25)15-12-26-17-5-3-2-4-14(15)17/h12-13H,2-11H2,1H3,(H,21,22)
InChIKeyMGJVLJKYCJTQMI-UHFFFAOYSA-N
XLogP2.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The IUPAC name of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone (CID 72905582) is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone.
What is the SMILES notation for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The canonical SMILES for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is CN1CCc2[nH]cnc2C12CCN(C(=O)c1csc3c1CCCC3)CC2.
What is the InChIKey of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
The InChIKey is MGJVLJKYCJTQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-23-9-6-16-18(22-13-21-16)20(23)7-10-24(11-8-20)19(25)15-12-26-17-5-3-2-4-14(15)17/h12-13H,2-11H2,1H3,(H,21,22).
What are the key properties of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone?
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone is sourced from PubChem (CID 72905582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).