1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one

C19H21FN4O2 — CID 118060106

IUPAC1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O2/c20-14-1-2-16-17(11-21-18(16)9-14)13-10-22-24(12-13)15-3-6-23(7-4-15)19(26)5-8-25/h1-2,9-12,15,21,25H,3-8H2
InChIKeyIWSYENHRPXYRSL-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one

1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one (PubChem CID 118060106) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID118060106
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one
SMILESO=C(CCO)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C19H21FN4O2/c20-14-1-2-16-17(11-21-18(16)9-14)13-10-22-24(12-13)15-3-6-23(7-4-15)19(26)5-8-25/h1-2,9-12,15,21,25H,3-8H2
InChIKeyIWSYENHRPXYRSL-UHFFFAOYSA-N
XLogP2.72
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one (CID 118060106) is 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one is O=C(CCO)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]-3-hydroxypropan-1-one?
The InChIKey is IWSYENHRPXYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-14-1-2-16-17(11-21-18(16)9-14)13-10-22-24(12-13)15-3-6-23(7-4-15)19(26)5-8-25/h1-2,9-12,15,21,25H,3-8H2.
What are the key properties of 1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one?
1-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 356.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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]-3-hydroxypropan-1-one is sourced from PubChem (CID 118060106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).