cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone

C20H21FN4O — CID 118060276

IUPACcyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C20H21FN4O/c21-15-3-4-17-18(11-22-19(17)9-15)14-10-23-25(12-14)16-5-7-24(8-6-16)20(26)13-1-2-13/h3-4,9-13,16,22H,1-2,5-8H2
InChIKeyKESFJFBFKKXMAA-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.74
Rot. Bonds3

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

cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 118060276) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID118060276
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Namecyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1
InChIInChI=1S/C20H21FN4O/c21-15-3-4-17-18(11-22-19(17)9-15)14-10-23-25(12-14)16-5-7-24(8-6-16)20(26)13-1-2-13/h3-4,9-13,16,22H,1-2,5-8H2
InChIKeyKESFJFBFKKXMAA-UHFFFAOYSA-N
XLogP3.74
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 118060276) is cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(n2cc(-c3c[nH]c4cc(F)ccc34)cn2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is KESFJFBFKKXMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-15-3-4-17-18(11-22-19(17)9-15)14-10-23-25(12-14)16-5-7-24(8-6-16)20(26)13-1-2-13/h3-4,9-13,16,22H,1-2,5-8H2.
What are the key properties of cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 118060276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).