(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone

C19H25N5OS — CID 72876079

IUPAC(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1SC)CC2
InChIInChI=1S/C19H25N5OS/c1-3-24-10-6-15-16(22-13-21-15)19(24)7-11-23(12-8-19)18(25)14-5-4-9-20-17(14)26-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,21,22)
InChIKeyDWBADHXTQZGTEO-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.54
Rot. Bonds3

About (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone

(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 72876079) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID72876079
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1SC)CC2
InChIInChI=1S/C19H25N5OS/c1-3-24-10-6-15-16(22-13-21-15)19(24)7-11-23(12-8-19)18(25)14-5-4-9-20-17(14)26-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,21,22)
InChIKeyDWBADHXTQZGTEO-UHFFFAOYSA-N
XLogP2.54
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.54
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)-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (CID 72876079) is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone is CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cccnc1SC)CC2.
What is the InChIKey of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is DWBADHXTQZGTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-3-24-10-6-15-16(22-13-21-15)19(24)7-11-23(12-8-19)18(25)14-5-4-9-20-17(14)26-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,21,22).
What are the key properties of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 371.51 g/mol, XLogP of 2.54, 3 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)-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 72876079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).