[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone

C21H24N6O — CID 97407571

IUPAC[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCC1
InChIInChI=1S/C21H24N6O/c28-20(25-10-1-2-11-25)17-4-5-18-6-7-19(27(18)16-17)24-12-14-26(15-13-24)21-22-8-3-9-23-21/h3-9,16H,1-2,10-15H2
InChIKeyTXLXTLGGVBMQAJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.29
Rot. Bonds3

About [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone

[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97407571) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID97407571
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCC1
InChIInChI=1S/C21H24N6O/c28-20(25-10-1-2-11-25)17-4-5-18-6-7-19(27(18)16-17)24-12-14-26(15-13-24)21-22-8-3-9-23-21/h3-9,16H,1-2,10-15H2
InChIKeyTXLXTLGGVBMQAJ-UHFFFAOYSA-N
XLogP2.29
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone
CID 97448108
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362442
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647571
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191

Frequently Asked Questions

What is the IUPAC name of [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone (CID 97407571) is [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCC1.
What is the InChIKey of [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TXLXTLGGVBMQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-20(25-10-1-2-11-25)17-4-5-18-6-7-19(27(18)16-17)24-12-14-26(15-13-24)21-22-8-3-9-23-21/h3-9,16H,1-2,10-15H2.
What are the key properties of [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone?
[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97407571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).