5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine

C69H74F2N12O10S3 — CID 159092849

IUPAC5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCC(=O)N4)c3ccc(F)cc23)CC1.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)cn2)C1.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cn2)C1
InChIInChI=1S/C24H27FN4O3S.C23H27N5O3S.C22H20FN3O4S/c1-27-10-7-17(8-11-27)22-16-29(23-5-3-18(25)13-21(22)23)33(30,31)20-4-6-24(26-14-20)28-12-9-19(15-28)32-2;1-26-11-7-17(8-12-26)21-16-28(23-20(21)4-3-10-24-23)32(29,30)19-5-6-22(25-14-19)27-13-9-18(15-27)31-2;1-25-8-6-14(7-9-25)18-12-26(20-5-2-15(23)10-17(18)20)31(28,29)16-3-4-19-21(11-16)30-13-22(27)24-19/h3-7,13-14,16,19H,8-12,15H2,1-2H3;3-7,10,14,16,18H,8-9,11-13,15H2,1-2H3;2-6,10-12H,7-9,13H2,1H3,(H,24,27)
InChIKeyKCHFAEPGLHVVNL-UHFFFAOYSA-N
MW1365.62 g/mol
LogP9.04
Rot. Bonds13

About 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine

5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 159092849) has the molecular formula C69H74F2N12O10S3 and a molecular weight of 1365.62 g/mol. Its IUPAC name is 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID159092849
Molecular FormulaC69H74F2N12O10S3
Molecular Weight1365.62 g/mol
Exact Mass1364.48
IUPAC Name5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCC(=O)N4)c3ccc(F)cc23)CC1.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)cn2)C1.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cn2)C1
InChIInChI=1S/C24H27FN4O3S.C23H27N5O3S.C22H20FN3O4S/c1-27-10-7-17(8-11-27)22-16-29(23-5-3-18(25)13-21(22)23)33(30,31)20-4-6-24(26-14-20)28-12-9-19(15-28)32-2;1-26-11-7-17(8-12-26)21-16-28(23-20(21)4-3-10-24-23)32(29,30)19-5-6-22(25-14-19)27-13-9-18(15-27)31-2;1-25-8-6-14(7-9-25)18-12-26(20-5-2-15(23)10-17(18)20)31(28,29)16-3-4-19-21(11-16)30-13-22(27)24-19/h3-7,13-14,16,19H,8-12,15H2,1-2H3;3-7,10,14,16,18H,8-9,11-13,15H2,1-2H3;2-6,10-12H,7-9,13H2,1H3,(H,24,27)
InChIKeyKCHFAEPGLHVVNL-UHFFFAOYSA-N
XLogP9.04
TPSA228.87 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001365.62
LogP ≤ 59.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine (CID 159092849) is 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCC(=O)N4)c3ccc(F)cc23)CC1.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)cn2)C1.COC1CCN(c2ccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)cn2)C1.
What is the InChIKey of 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is KCHFAEPGLHVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S.C23H27N5O3S.C22H20FN3O4S/c1-27-10-7-17(8-11-27)22-16-29(23-5-3-18(25)13-21(22)23)33(30,31)20-4-6-24(26-14-20)28-12-9-19(15-28)32-2;1-26-11-7-17(8-12-26)21-16-28(23-20(21)4-3-10-24-23)32(29,30)19-5-6-22(25-14-19)27-13-9-18(15-27)31-2;1-25-8-6-14(7-9-25)18-12-26(20-5-2-15(23)10-17(18)20)31(28,29)16-3-4-19-21(11-16)30-13-22(27)24-19/h3-7,13-14,16,19H,8-12,15H2,1-2H3;3-7,10,14,16,18H,8-9,11-13,15H2,1-2H3;2-6,10-12H,7-9,13H2,1H3,(H,24,27).
What are the key properties of 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine?
5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 1365.62 g/mol, XLogP of 9.04, 13 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159092849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).