1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone

C37H40F2N8O4 — CID 157308465

IUPAC1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.O=C(CO)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O2.C18H19FN4O2/c1-26-12-19(25)23-6-4-15(5-7-23)24-11-13(9-22-24)17-10-21-18-8-14(20)2-3-16(17)18;19-13-1-2-15-16(9-20-17(15)7-13)12-8-21-23(10-12)14-3-5-22(6-4-14)18(25)11-24/h2-3,8-11,15,21H,4-7,12H2,1H3;1-2,7-10,14,20,24H,3-6,11H2
InChIKeyBCTLWYLCBBNPGG-UHFFFAOYSA-N
MW698.78 g/mol
LogP5.31
Rot. Bonds7

About 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 157308465) has the molecular formula C37H40F2N8O4 and a molecular weight of 698.78 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID157308465
Molecular FormulaC37H40F2N8O4
Molecular Weight698.78 g/mol
Exact Mass698.31
IUPAC Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.O=C(CO)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O2.C18H19FN4O2/c1-26-12-19(25)23-6-4-15(5-7-23)24-11-13(9-22-24)17-10-21-18-8-14(20)2-3-16(17)18;19-13-1-2-15-16(9-20-17(15)7-13)12-8-21-23(10-12)14-3-5-22(6-4-14)18(25)11-24/h2-3,8-11,15,21H,4-7,12H2,1H3;1-2,7-10,14,20,24H,3-6,11H2
InChIKeyBCTLWYLCBBNPGG-UHFFFAOYSA-N
XLogP5.31
TPSA137.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.78
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-(1-(3-(4-(1H-indol-3-yl)piperidin-1-yl)-2-hydroxypropyl)-3-(4-(trifluoromethyl)phenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 10120530
US11247989, Example 70
CID 137247647
US11247989, Example 71
CID 137247659
US11247989, Example 69
CID 137247661
US11247989, Example 68
CID 137250529
1-[1-[2-hydroxy-3-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 22311987
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 91758303
1-(4-(4-(6-fluoro-1H-indol-3-yl)-1H-pyrazol-1-yl)piperidin-1-yl)-3-hydroxypropan-1-one
CID 118060106
1-(4-(4-(6-fluoro-1H-indol-3-yl)-3-methyl-1H-pyrazol-1-yl)piperidin-1-yl)ethanone
CID 118060130
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone
CID 118060147
1-(4-(4-(6-fluoro-1H-indol-3-yl)-5-methyl-1H-pyrazol-1-yl)piperidin-1-yl)ethanone
CID 118060421
2-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 118060524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone (CID 157308465) is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.O=C(CO)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is BCTLWYLCBBNPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2.C18H19FN4O2/c1-26-12-19(25)23-6-4-15(5-7-23)24-11-13(9-22-24)17-10-21-18-8-14(20)2-3-16(17)18;19-13-1-2-15-16(9-20-17(15)7-13)12-8-21-23(10-12)14-3-5-22(6-4-14)18(25)11-24/h2-3,8-11,15,21H,4-7,12H2,1H3;1-2,7-10,14,20,24H,3-6,11H2.
What are the key properties of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 698.78 g/mol, XLogP of 5.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 157308465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).