(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone

C20H20ClFN4O — CID 87604253

IUPAC(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCCN2CCCC2)c2cc(F)ccc12
InChIInChI=1S/C20H20ClFN4O/c21-19-11-17(23-13-24-19)20(27)16-12-26(9-3-8-25-6-1-2-7-25)18-10-14(22)4-5-15(16)18/h4-5,10-13H,1-3,6-9H2
InChIKeyRZBPBQYAUJXTNV-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.94
Rot. Bonds6

About (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone

(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone (PubChem CID 87604253) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
PubChem CID87604253
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC Name(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCCN2CCCC2)c2cc(F)ccc12
InChIInChI=1S/C20H20ClFN4O/c21-19-11-17(23-13-24-19)20(27)16-12-26(9-3-8-25-6-1-2-7-25)18-10-14(22)4-5-15(16)18/h4-5,10-13H,1-3,6-9H2
InChIKeyRZBPBQYAUJXTNV-UHFFFAOYSA-N
XLogP3.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
The IUPAC name of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone (CID 87604253) is (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
The canonical SMILES for (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone is O=C(c1cc(Cl)ncn1)c1cn(CCCN2CCCC2)c2cc(F)ccc12.
What is the InChIKey of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
The InChIKey is RZBPBQYAUJXTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c21-19-11-17(23-13-24-19)20(27)16-12-26(9-3-8-25-6-1-2-7-25)18-10-14(22)4-5-15(16)18/h4-5,10-13H,1-3,6-9H2.
What are the key properties of (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone?
(6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone has a molecular weight of 386.86 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone is sourced from PubChem (CID 87604253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).