1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one

C19H21FN4O — CID 159962727

IUPAC1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CN2CCCC2C2=Nc3ccc(F)cc3C2)cn1
InChIInChI=1S/C19H21FN4O/c1-23-11-13(10-21-23)7-16(25)12-24-6-2-3-19(24)18-9-14-8-15(20)4-5-17(14)22-18/h4-5,8,10-11,19H,2-3,6-7,9,12H2,1H3
InChIKeyODNRLYNXACOLIM-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one

1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one (PubChem CID 159962727) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one
PubChem CID159962727
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one
SMILESCn1cc(CC(=O)CN2CCCC2C2=Nc3ccc(F)cc3C2)cn1
InChIInChI=1S/C19H21FN4O/c1-23-11-13(10-21-23)7-16(25)12-24-6-2-3-19(24)18-9-14-8-15(20)4-5-17(14)22-18/h4-5,8,10-11,19H,2-3,6-7,9,12H2,1H3
InChIKeyODNRLYNXACOLIM-UHFFFAOYSA-N
XLogP2.46
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one?
The IUPAC name of 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one (CID 159962727) is 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one is Cn1cc(CC(=O)CN2CCCC2C2=Nc3ccc(F)cc3C2)cn1.
What is the InChIKey of 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is ODNRLYNXACOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-23-11-13(10-21-23)7-16(25)12-24-6-2-3-19(24)18-9-14-8-15(20)4-5-17(14)22-18/h4-5,8,10-11,19H,2-3,6-7,9,12H2,1H3.
What are the key properties of 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one?
1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 340.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-3H-indol-2-yl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-2-one is sourced from PubChem (CID 159962727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).