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

C13H20N4O3S — CID 118739089

IUPAC(3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cnc2c1C(C(=O)N1CCCC1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C13H20N4O3S/c1-15-9-14-10-5-8-17(21(2,19)20)12(11(10)15)13(18)16-6-3-4-7-16/h9,12H,3-8H2,1-2H3
InChIKeyUBIVDHJMIFOKCM-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.10
Rot. Bonds2

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

(3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 118739089) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID118739089
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name(3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCn1cnc2c1C(C(=O)N1CCCC1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C13H20N4O3S/c1-15-9-14-10-5-8-17(21(2,19)20)12(11(10)15)13(18)16-6-3-4-7-16/h9,12H,3-8H2,1-2H3
InChIKeyUBIVDHJMIFOKCM-UHFFFAOYSA-N
XLogP-0.10
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone (CID 118739089) is (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone is Cn1cnc2c1C(C(=O)N1CCCC1)N(S(C)(=O)=O)CC2.
What is the InChIKey of (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is UBIVDHJMIFOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-15-9-14-10-5-8-17(21(2,19)20)12(11(10)15)13(18)16-6-3-4-7-16/h9,12H,3-8H2,1-2H3.
What are the key properties of (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone?
(3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 312.40 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118739089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).