methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

C20H22N4O4S — CID 118246566

IUPACmethyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CCCC2)ccn1
InChIInChI=1S/C20H22N4O4S/c1-13-19-16(8-10-24(19)29(26,27)15-5-3-4-6-15)17(12-22-13)14-7-9-21-18(11-14)23-20(25)28-2/h7-12,15H,3-6H2,1-2H3,(H,21,23,25)
InChIKeyJPWRHUXBWPFYPR-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.71
Rot. Bonds4

About methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate

methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 118246566) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID118246566
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Namemethyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CCCC2)ccn1
InChIInChI=1S/C20H22N4O4S/c1-13-19-16(8-10-24(19)29(26,27)15-5-3-4-6-15)17(12-22-13)14-7-9-21-18(11-14)23-20(25)28-2/h7-12,15H,3-6H2,1-2H3,(H,21,23,25)
InChIKeyJPWRHUXBWPFYPR-UHFFFAOYSA-N
XLogP3.71
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 118246566) is methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CCCC2)ccn1.
What is the InChIKey of methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is JPWRHUXBWPFYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-19-16(8-10-24(19)29(26,27)15-5-3-4-6-15)17(12-22-13)14-7-9-21-18(11-14)23-20(25)28-2/h7-12,15H,3-6H2,1-2H3,(H,21,23,25).
What are the key properties of methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 414.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(1-cyclopentylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118246566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).