(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone

C19H26N4O2S — CID 72868232

IUPAC(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(COC)s1)CC2
InChIInChI=1S/C19H26N4O2S/c1-3-23-9-6-15-17(21-13-20-15)19(23)7-10-22(11-8-19)18(24)16-5-4-14(26-16)12-25-2/h4-5,13H,3,6-12H2,1-2H3,(H,20,21)
InChIKeyXINDZBFJWXHJOP-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.63
Rot. Bonds4

About (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone

(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 72868232) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
PubChem CID72868232
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(COC)s1)CC2
InChIInChI=1S/C19H26N4O2S/c1-3-23-9-6-15-17(21-13-20-15)19(23)7-10-22(11-8-19)18(24)16-5-4-14(26-16)12-25-2/h4-5,13H,3,6-12H2,1-2H3,(H,20,21)
InChIKeyXINDZBFJWXHJOP-UHFFFAOYSA-N
XLogP2.63
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone (CID 72868232) is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone is CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(COC)s1)CC2.
What is the InChIKey of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone?
The InChIKey is XINDZBFJWXHJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-3-23-9-6-15-17(21-13-20-15)19(23)7-10-22(11-8-19)18(24)16-5-4-14(26-16)12-25-2/h4-5,13H,3,6-12H2,1-2H3,(H,20,21).
What are the key properties of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone?
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 374.51 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 72868232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).