(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone

C15H24N4O3S — CID 118738878

IUPAC(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)n1cnc2c1C(C(=O)N1CCCC1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C15H24N4O3S/c1-11(2)18-10-16-12-6-9-19(23(3,21)22)14(13(12)18)15(20)17-7-4-5-8-17/h10-11,14H,4-9H2,1-3H3
InChIKeyUOSNIHLYYKLWBO-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.95
Rot. Bonds3

About (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone

(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 118738878) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID118738878
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)n1cnc2c1C(C(=O)N1CCCC1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C15H24N4O3S/c1-11(2)18-10-16-12-6-9-19(23(3,21)22)14(13(12)18)15(20)17-7-4-5-8-17/h10-11,14H,4-9H2,1-3H3
InChIKeyUOSNIHLYYKLWBO-UHFFFAOYSA-N
XLogP0.95
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone (CID 118738878) is (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone is CC(C)n1cnc2c1C(C(=O)N1CCCC1)N(S(C)(=O)=O)CC2.
What is the InChIKey of (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is UOSNIHLYYKLWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11(2)18-10-16-12-6-9-19(23(3,21)22)14(13(12)18)15(20)17-7-4-5-8-17/h10-11,14H,4-9H2,1-3H3.
What are the key properties of (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
(5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 340.45 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118738878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).