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

C21H18N4O4S — CID 122692485

IUPACmethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C21H18N4O4S/c1-14-20-17(9-11-25(20)30(27,28)16-6-4-3-5-7-16)18(13-23-14)15-8-10-22-19(12-15)24-21(26)29-2/h3-13H,1-2H3,(H,22,24,26)
InChIKeyYQQJVMABUSHCOF-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.82
Rot. Bonds4

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

methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (PubChem CID 122692485) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
PubChem CID122692485
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Namemethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1
InChIInChI=1S/C21H18N4O4S/c1-14-20-17(9-11-25(20)30(27,28)16-6-4-3-5-7-16)18(13-23-14)15-8-10-22-19(12-15)24-21(26)29-2/h3-13H,1-2H3,(H,22,24,26)
InChIKeyYQQJVMABUSHCOF-UHFFFAOYSA-N
XLogP3.82
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
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3-(Methoxycarbonyl)amino-beta-carboline
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N-(5-(3-Phenylimidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (CID 122692485) is methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.
What is the InChIKey of methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is YQQJVMABUSHCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-14-20-17(9-11-25(20)30(27,28)16-6-4-3-5-7-16)18(13-23-14)15-8-10-22-19(12-15)24-21(26)29-2/h3-13H,1-2H3,(H,22,24,26).
What are the key properties of methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
methyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 422.47 g/mol, XLogP of 3.82, 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-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 122692485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).