1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C60H66F3N9O5 — CID 157409537

IUPAC1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.COc1ccc2[nH]cc(C3CCN(C(C)=O)CC3)c2c1
InChIInChI=1S/C16H20N2O2.C15H14F2N2O.C15H17FN2O.C14H15N3O/c1-11(19)18-7-5-12(6-8-18)15-10-17-16-4-3-13(20-2)9-14(15)16;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-4,9-10,12,17H,5-8H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3
InChIKeyBOCODDBUEFLKEP-UHFFFAOYSA-N
MW1050.24 g/mol
LogP11.22
Rot. Bonds5

About 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 157409537) has the molecular formula C60H66F3N9O5 and a molecular weight of 1050.24 g/mol. Its IUPAC name is 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID157409537
Molecular FormulaC60H66F3N9O5
Molecular Weight1050.24 g/mol
Exact Mass1049.51
IUPAC Name1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.COc1ccc2[nH]cc(C3CCN(C(C)=O)CC3)c2c1
InChIInChI=1S/C16H20N2O2.C15H14F2N2O.C15H17FN2O.C14H15N3O/c1-11(19)18-7-5-12(6-8-18)15-10-17-16-4-3-13(20-2)9-14(15)16;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-4,9-10,12,17H,5-8H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3
InChIKeyBOCODDBUEFLKEP-UHFFFAOYSA-N
XLogP11.22
TPSA166.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001050.24
LogP ≤ 511.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 157409537) is 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.COc1ccc2[nH]cc(C3CCN(C(C)=O)CC3)c2c1.
What is the InChIKey of 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is BOCODDBUEFLKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C15H14F2N2O.C15H17FN2O.C14H15N3O/c1-11(19)18-7-5-12(6-8-18)15-10-17-16-4-3-13(20-2)9-14(15)16;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-4,9-10,12,17H,5-8H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3.
What are the key properties of 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1050.24 g/mol, XLogP of 11.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 157409537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).