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

C16H16N4O4S — CID 118246515

IUPACmethyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(C)(=O)=O)ccn1
InChIInChI=1S/C16H16N4O4S/c1-10-15-12(5-7-20(15)25(3,22)23)13(9-18-10)11-4-6-17-14(8-11)19-16(21)24-2/h4-9H,1-3H3,(H,17,19,21)
InChIKeyRZQSVXDKPAUKOT-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.39
Rot. Bonds3

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

methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (PubChem CID 118246515) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
PubChem CID118246515
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Namemethyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(C)(=O)=O)ccn1
InChIInChI=1S/C16H16N4O4S/c1-10-15-12(5-7-20(15)25(3,22)23)13(9-18-10)11-4-6-17-14(8-11)19-16(21)24-2/h4-9H,1-3H3,(H,17,19,21)
InChIKeyRZQSVXDKPAUKOT-UHFFFAOYSA-N
XLogP2.39
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
CID 118246523
methyl N-[4-(5-fluoro-6-methyl-2-pyridinyl)-2-pyridinyl]carbamate
CID 166473361
N-[4-[1-cyclopropylsulfonyl-7-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
CID 118240718
methyl N-[4-[4-[5-(3,3-dimethylbutylcarbamoylamino)-2-methyl-3-pyridinyl]-2-pyridinyl]-2-pyridinyl]carbamate
CID 168929128
N-[4-[5-(tert-butylsulfamoyl)-4-methyl-6-(methylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293487
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
methyl N-[4-[2-(2,4-dimethylpentoxy)pyrimidin-5-yl]-2-pyridinyl]carbamate
CID 144939875
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-2-pyridinyl]carbamate
CID 168929923
tert-butyl N-[4-(2-bromophenyl)-2-pyridinyl]carbamate
CID 173234410
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[5-(tert-butylsulfamoyl)-6-(dimethylamino)-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293529

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate (CID 118246515) is methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(C)(=O)=O)ccn1.
What is the InChIKey of methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
The InChIKey is RZQSVXDKPAUKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-10-15-12(5-7-20(15)25(3,22)23)13(9-18-10)11-4-6-17-14(8-11)19-16(21)24-2/h4-9H,1-3H3,(H,17,19,21).
What are the key properties of methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate?
methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate has a molecular weight of 360.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 118246515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).