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

C18H23N5OS — CID 72847902

IUPAC(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C
InChIInChI=1S/C18H23N5OS/c1-22-9-5-14-15(21-12-20-14)18(22)6-10-23(11-7-18)17(24)13-4-3-8-19-16(13)25-2/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,20,21)
InChIKeyMJHPWGHJXZBECA-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.15
Rot. Bonds2

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

(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 72847902) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID72847902
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C
InChIInChI=1S/C18H23N5OS/c1-22-9-5-14-15(21-12-20-14)18(22)6-10-23(11-7-18)17(24)13-4-3-8-19-16(13)25-2/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,20,21)
InChIKeyMJHPWGHJXZBECA-UHFFFAOYSA-N
XLogP2.15
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone (CID 72847902) is (5-methylspiro[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-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C.
What is the InChIKey of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is MJHPWGHJXZBECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-22-9-5-14-15(21-12-20-14)18(22)6-10-23(11-7-18)17(24)13-4-3-8-19-16(13)25-2/h3-4,8,12H,5-7,9-11H2,1-2H3,(H,20,21).
What are the key properties of (5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone?
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 357.48 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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)-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 72847902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).