2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

C24H33N5O — CID 110219956

IUPAC2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCCC(c2nc(N3CCCC3)ncc2-c2cccnc2)C1
InChIInChI=1S/C24H33N5O/c1-3-18(4-2)23(30)29-14-8-10-20(17-29)22-21(19-9-7-11-25-15-19)16-26-24(27-22)28-12-5-6-13-28/h7,9,11,15-16,18,20H,3-6,8,10,12-14,17H2,1-2H3
InChIKeyRNLGQPCFXQGDBH-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.28
Rot. Bonds6

About 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one

2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (PubChem CID 110219956) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
PubChem CID110219956
Molecular FormulaC24H33N5O
Molecular Weight407.56 g/mol
Exact Mass407.27
IUPAC Name2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCCC(c2nc(N3CCCC3)ncc2-c2cccnc2)C1
InChIInChI=1S/C24H33N5O/c1-3-18(4-2)23(30)29-14-8-10-20(17-29)22-21(19-9-7-11-25-15-19)16-26-24(27-22)28-12-5-6-13-28/h7,9,11,15-16,18,20H,3-6,8,10,12-14,17H2,1-2H3
InChIKeyRNLGQPCFXQGDBH-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 46960345
pyridin-4-yl-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46960056
1-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51593591
1-[(3S)-3-[2-(4-methylpiperazin-1-yl)-5-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51593589
[(3R)-3-(2-piperidin-1-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95808369
3-methyl-1-[3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 110219740
ethyl 2-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 95799941
[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110219727
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
[(3R)-3-[2-[(3S)-3-methylpiperidin-1-yl]-5-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95808388
2-ethyl-1-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 45173372

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one (CID 110219956) is 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCCC(c2nc(N3CCCC3)ncc2-c2cccnc2)C1.
What is the InChIKey of 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
The InChIKey is RNLGQPCFXQGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-3-18(4-2)23(30)29-14-8-10-20(17-29)22-21(19-9-7-11-25-15-19)16-26-24(27-22)28-12-5-6-13-28/h7,9,11,15-16,18,20H,3-6,8,10,12-14,17H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one?
2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one has a molecular weight of 407.56 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 110219956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).