4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate

C41H53BrN8O8S2Sn — CID 159698070

IUPAC4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate
SMILESC.C.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.COC(=O)Nc1cc([Sn](C)(C)C)ccn1.Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C18H18N4O4S.C11H11BrN2O2S.C7H7N2O2.2CH4.3CH3.Sn/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2;1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8;1-11-7(10)9-6-4-2-3-5-8-6;;;;;;/h5-10,13H,3-4H2,1-2H3,(H,19,21,23);4-6,8H,2-3H2,1H3;3-5H,1H3,(H,8,9,10);2*1H4;3*1H3;
InChIKeyMXGPKCKFTPGDMV-UHFFFAOYSA-N
MW1048.67 g/mol
LogP8.45
Rot. Bonds8

About 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate

4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate (PubChem CID 159698070) has the molecular formula C41H53BrN8O8S2Sn and a molecular weight of 1048.67 g/mol. Its IUPAC name is 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate
PubChem CID159698070
Molecular FormulaC41H53BrN8O8S2Sn
Molecular Weight1048.67 g/mol
Exact Mass1048.16
IUPAC Name4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate
SMILESC.C.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.COC(=O)Nc1cc([Sn](C)(C)C)ccn1.Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12
InChIInChI=1S/C18H18N4O4S.C11H11BrN2O2S.C7H7N2O2.2CH4.3CH3.Sn/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2;1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8;1-11-7(10)9-6-4-2-3-5-8-6;;;;;;/h5-10,13H,3-4H2,1-2H3,(H,19,21,23);4-6,8H,2-3H2,1H3;3-5H,1H3,(H,8,9,10);2*1H4;3*1H3;
InChIKeyMXGPKCKFTPGDMV-UHFFFAOYSA-N
XLogP8.45
TPSA206.36 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.67
LogP ≤ 58.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate with MolForge

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Related Compounds

US10202373, Example 10A
CID 118246512
US10202373, Example 3W
CID 118246515
US10202373, Example 4
CID 118246531
US10202373, Example 4G
CID 118246566
US10202373, Example 4H
CID 118246572
US10202373, Example 3X
CID 122692490
N-[4-[1-(cyclopropylmethyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methyl N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
CID 159064951
4-bromo-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridine;2,2-difluoro-N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]cyclopropane-1-carboxamide;2,2-difluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]cyclopropane-1-carboxamide;methane
CID 159172724
[4-(1-Cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamic acid
CID 118240829
methyl N-[4-(1-propan-2-ylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate
CID 137482648
N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-(3-fluoro-7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;N-[4-(7-methyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide
CID 158599231
N-[4-(1-cyclopropylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-5-fluoro-2-pyridinyl]acetamide;N-[4-(3,7-dimethyl-1-methylsulfonylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]acetamide;N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide;methyl N-[4-[1-(dimethylsulfamoyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 159457187

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate?
The IUPAC name of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate (CID 159698070) is 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate.
What is the SMILES notation for 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate?
The canonical SMILES for 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate is C.C.COC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)C2CC2)ccn1.COC(=O)Nc1cc([Sn](C)(C)C)ccn1.Cc1ncc(Br)c2ccn(S(=O)(=O)C3CC3)c12.
What is the InChIKey of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate?
The InChIKey is MXGPKCKFTPGDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S.C11H11BrN2O2S.C7H7N2O2.2CH4.3CH3.Sn/c1-11-17-14(6-8-22(17)27(24,25)13-3-4-13)15(10-20-11)12-5-7-19-16(9-12)21-18(23)26-2;1-7-11-9(10(12)6-13-7)4-5-14(11)17(15,16)8-2-3-8;1-11-7(10)9-6-4-2-3-5-8-6;;;;;;/h5-10,13H,3-4H2,1-2H3,(H,19,21,23);4-6,8H,2-3H2,1H3;3-5H,1H3,(H,8,9,10);2*1H4;3*1H3;.
What are the key properties of 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate?
4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate has a molecular weight of 1048.67 g/mol, XLogP of 8.45, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridine;methane;methyl N-[4-(1-cyclopropylsulfonyl-7-methylpyrrolo[2,3-c]pyridin-4-yl)-2-pyridinyl]carbamate;methyl N-(4-trimethylstannyl-2-pyridinyl)carbamate is sourced from PubChem (CID 159698070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).