5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane

C43H44N8O6S2 — CID 162069259

IUPAC5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane
SMILESC.C.CCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.Cc1ncc(-c2cncc(N)c2)c2ccn(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C22H20N4O4S.C19H16N4O2S.2CH4/c1-3-30-22(27)25-20-13-16(9-11-23-20)19-14-24-15(2)21-18(19)10-12-26(21)31(28,29)17-7-5-4-6-8-17;1-13-19-17(18(12-22-13)14-9-15(20)11-21-10-14)7-8-23(19)26(24,25)16-5-3-2-4-6-16;;/h4-14H,3H2,1-2H3,(H,23,25,27);2-12H,20H2,1H3;2*1H4
InChIKeyZAVYIEXONZEDCC-UHFFFAOYSA-N
MW833.01 g/mol
LogP8.71
Rot. Bonds8

About 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane

5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane (PubChem CID 162069259) has the molecular formula C43H44N8O6S2 and a molecular weight of 833.01 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane
PubChem CID162069259
Molecular FormulaC43H44N8O6S2
Molecular Weight833.01 g/mol
Exact Mass832.28
IUPAC Name5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane
SMILESC.C.CCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.Cc1ncc(-c2cncc(N)c2)c2ccn(S(=O)(=O)c3ccccc3)c12
InChIInChI=1S/C22H20N4O4S.C19H16N4O2S.2CH4/c1-3-30-22(27)25-20-13-16(9-11-23-20)19-14-24-15(2)21-18(19)10-12-26(21)31(28,29)17-7-5-4-6-8-17;1-13-19-17(18(12-22-13)14-9-15(20)11-21-10-14)7-8-23(19)26(24,25)16-5-3-2-4-6-16;;/h4-14H,3H2,1-2H3,(H,23,25,27);2-12H,20H2,1H3;2*1H4
InChIKeyZAVYIEXONZEDCC-UHFFFAOYSA-N
XLogP8.71
TPSA194.05 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 58.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane with MolForge

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Related Compounds

ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 118249286
US10202373, Example 3C
CID 122692489
N-[4-[1-(benzenesulfonyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide
CID 118238041
N-[4-[1-(benzenesulfonyl)-2-ethylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]acetamide
CID 118240784
US10202373, Example 4F
CID 118246502
US10202373, Example 10A
CID 118246512
US10202373, Example 3W
CID 118246515
US10202373, Example 3O
CID 118246517
US10202373, Example 10
CID 118246526
US10202373, Example 3D
CID 118246529
US10202373, Example 4
CID 118246531
US10202373, Example 4G
CID 118246566

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane?
The IUPAC name of 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane (CID 162069259) is 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane?
The canonical SMILES for 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane is C.C.CCOC(=O)Nc1cc(-c2cnc(C)c3c2ccn3S(=O)(=O)c2ccccc2)ccn1.Cc1ncc(-c2cncc(N)c2)c2ccn(S(=O)(=O)c3ccccc3)c12.
What is the InChIKey of 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane?
The InChIKey is ZAVYIEXONZEDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S.C19H16N4O2S.2CH4/c1-3-30-22(27)25-20-13-16(9-11-23-20)19-14-24-15(2)21-18(19)10-12-26(21)31(28,29)17-7-5-4-6-8-17;1-13-19-17(18(12-22-13)14-9-15(20)11-21-10-14)7-8-23(19)26(24,25)16-5-3-2-4-6-16;;/h4-14H,3H2,1-2H3,(H,23,25,27);2-12H,20H2,1H3;2*1H4.
What are the key properties of 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane?
5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane has a molecular weight of 833.01 g/mol, XLogP of 8.71, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]pyridin-3-amine;ethyl N-[4-[1-(benzenesulfonyl)-7-methylpyrrolo[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate;methane is sourced from PubChem (CID 162069259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).