5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C18H24N4O2S — CID 75379504

IUPAC5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCc3c(ncn3C3CC3)C2)cn1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)25(23,24)17-7-6-14(10-19-17)21-9-8-16-15(11-21)20-12-22(16)13-4-5-13/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyPJCWLEUIALFSMT-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds3

About 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 75379504) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID75379504
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCc3c(ncn3C3CC3)C2)cn1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)25(23,24)17-7-6-14(10-19-17)21-9-8-16-15(11-21)20-12-22(16)13-4-5-13/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3
InChIKeyPJCWLEUIALFSMT-UHFFFAOYSA-N
XLogP2.75
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 75379504) is 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)(C)S(=O)(=O)c1ccc(N2CCc3c(ncn3C3CC3)C2)cn1.
What is the InChIKey of 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is PJCWLEUIALFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)25(23,24)17-7-6-14(10-19-17)21-9-8-16-15(11-21)20-12-22(16)13-4-5-13/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3.
What are the key properties of 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 360.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butylsulfonyl-3-pyridinyl)-1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 75379504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).