3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C20H19ClN4O2 — CID 87605034

IUPAC3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C20H19ClN4O2/c21-18-11-16(22-13-23-18)20(27)15-12-25(17-6-2-1-5-14(15)17)10-7-19(26)24-8-3-4-9-24/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyHLAQFHNRUFSVKW-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.33
Rot. Bonds5

About 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 87605034) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID87605034
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(c1cc(Cl)ncn1)c1cn(CCC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C20H19ClN4O2/c21-18-11-16(22-13-23-18)20(27)15-12-25(17-6-2-1-5-14(15)17)10-7-19(26)24-8-3-4-9-24/h1-2,5-6,11-13H,3-4,7-10H2
InChIKeyHLAQFHNRUFSVKW-UHFFFAOYSA-N
XLogP3.33
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 87605034) is 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(c1cc(Cl)ncn1)c1cn(CCC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HLAQFHNRUFSVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-18-11-16(22-13-23-18)20(27)15-12-25(17-6-2-1-5-14(15)17)10-7-19(26)24-8-3-4-9-24/h1-2,5-6,11-13H,3-4,7-10H2.
What are the key properties of 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 382.85 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-chloropyrimidine-4-carbonyl)indol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 87605034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).