ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate

C93H108N18O11S3 — CID 91444909

About ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate

ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate (PubChem CID 91444909) has the molecular formula C93H108N18O11S3 and a molecular weight of 1750.20 g/mol. Its IUPAC name is ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate.

Molecular Properties

• Compound Name: ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
• PubChem CID: 91444909
• Molecular Formula: C93H108N18O11S3
• Molecular Weight: 1750.20 g/mol
• Exact Mass: 1748.76
• IUPAC Name: ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate
• SMILES: CC.COc1ccc(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)cc1.COc1ccc(CN2CCC3(CC2)CNc2ncccc23)cc1.CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21.CS(=O)(=O)N1CC2(CCNCC2)c2cccnc21.O=C(Nc1cnc(-c2ccccc2)cn1)Oc1ccccc1
• InChI: InChI=1S/C23H24N6O3S.C20H25N3O3S.C19H23N3O.C17H13N3O2.C12H17N3O2S.C2H6/c1-33(31,32)29-16-23(18-8-5-11-24-21(18)29)9-12-28(13-10-23)22(30)27-20-15-25-19(14-26-20)17-6-3-2-4-7-17;1-26-17-7-5-16(6-8-17)14-22-12-9-20(10-13-22)15-23(27(2,24)25)19-18(20)4-3-11-21-19;1-23-16-6-4-15(5-7-16)13-22-11-8-19(9-12-22)14-21-18-17(19)3-2-10-20-18;21-17(22-14-9-5-2-6-10-14)20-16-12-18-15(11-19-16)13-7-3-1-4-8-13;1-18(16,17)15-9-12(4-7-13-8-5-12)10-3-2-6-14-11(10)15;1-2/h2-8,11,14-15H,9-10,12-13,16H2,1H3,(H,26,27,30);3-8,11H,9-10,12-15H2,1-2H3;2-7,10H,8-9,11-14H2,1H3,(H,20,21);1-12H,(H,19,20,21);2-3,6,13H,4-5,7-9H2,1H3;1-2H3
• InChIKey: BAHUOWQCBBZYDF-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 334.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1750.20
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate?

The IUPAC name of ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate (CID 91444909) is ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate.

What is the SMILES notation for ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate?

The canonical SMILES for ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate is CC.COc1ccc(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)cc1.COc1ccc(CN2CCC3(CC2)CNc2ncccc23)cc1.CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21.CS(=O)(=O)N1CC2(CCNCC2)c2cccnc21.O=C(Nc1cnc(-c2ccccc2)cn1)Oc1ccccc1.

What is the InChIKey of ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate?

The InChIKey is BAHUOWQCBBZYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S.C20H25N3O3S.C19H23N3O.C17H13N3O2.C12H17N3O2S.C2H6/c1-33(31,32)29-16-23(18-8-5-11-24-21(18)29)9-12-28(13-10-23)22(30)27-20-15-25-19(14-26-20)17-6-3-2-4-7-17;1-26-17-7-5-16(6-8-17)14-22-12-9-20(10-13-22)15-23(27(2,24)25)19-18(20)4-3-11-21-19;1-23-16-6-4-15(5-7-16)13-22-11-8-19(9-12-22)14-21-18-17(19)3-2-10-20-18;21-17(22-14-9-5-2-6-10-14)20-16-12-18-15(11-19-16)13-7-3-1-4-8-13;1-18(16,17)15-9-12(4-7-13-8-5-12)10-3-2-6-14-11(10)15;1-2/h2-8,11,14-15H,9-10,12-13,16H2,1H3,(H,26,27,30);3-8,11H,9-10,12-15H2,1-2H3;2-7,10H,8-9,11-14H2,1H3,(H,20,21);1-12H,(H,19,20,21);2-3,6,13H,4-5,7-9H2,1H3;1-2H3.

What are the key properties of ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate?

ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate has a molecular weight of 1750.20 g/mol, XLogP of 13.60, 14 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1'-[(4-methoxyphenyl)methyl]-1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];1'-[(4-methoxyphenyl)methyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,4'-piperidine];1-methylsulfonyl-N-(5-phenylpyrazin-2-yl)spiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-1'-carboxamide;1-methylsulfonylspiro[2H-pyrrolo[2,3-b]pyridine-3,4'-piperidine];phenyl N-(5-phenylpyrazin-2-yl)carbamate is sourced from PubChem (CID 91444909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).