3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

C22H24N4O4S — CID 90419966

IUPAC3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c(OC)c1
InChIInChI=1S/C22H24N4O4S/c1-23-22(27)15-4-5-17(20(12-15)30-2)16-6-9-24-21-18(16)13-19(25-21)14-7-10-26(11-8-14)31(3,28)29/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyJJJVQXPBWQYCOF-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.65
Rot. Bonds5

About 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide

3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (PubChem CID 90419966) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
PubChem CID90419966
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide
SMILESCNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c(OC)c1
InChIInChI=1S/C22H24N4O4S/c1-23-22(27)15-4-5-17(20(12-15)30-2)16-6-9-24-21-18(16)13-19(25-21)14-7-10-26(11-8-14)31(3,28)29/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,23,27)(H,24,25)
InChIKeyJJJVQXPBWQYCOF-UHFFFAOYSA-N
XLogP2.65
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 60847
CID 60847
CID 139035060
CID 139035060
CID 16750094
CID 16750094
CID 16739128
CID 16739128
CID 117779854
CID 117779854
CID 23625310
CID 23625310
CID 44263951
CID 44263951
CID 162643373
CID 162643373
CID 10072710
CID 10072710
CID 10411641
CID 10411641
CID 16122967
CID 16122967
CID 44231723
CID 44231723

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide (CID 90419966) is 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is CNC(=O)c1ccc(-c2ccnc3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
The InChIKey is JJJVQXPBWQYCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-23-22(27)15-4-5-17(20(12-15)30-2)16-6-9-24-21-18(16)13-19(25-21)14-7-10-26(11-8-14)31(3,28)29/h4-7,9,12-13H,8,10-11H2,1-3H3,(H,23,27)(H,24,25).
What are the key properties of 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide?
3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide has a molecular weight of 440.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 90419966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).