piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone

C22H26N6O — CID 97448108

IUPACpiperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone
SMILESO=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCCC1
InChIInChI=1S/C22H26N6O/c29-21(26-11-2-1-3-12-26)18-5-6-19-7-8-20(28(19)17-18)25-13-15-27(16-14-25)22-23-9-4-10-24-22/h4-10,17H,1-3,11-16H2
InChIKeyLQBJEKUSWHPZQA-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.68
Rot. Bonds3

About piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone

piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone (PubChem CID 97448108) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone
PubChem CID97448108
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Namepiperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone
SMILESO=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCCC1
InChIInChI=1S/C22H26N6O/c29-21(26-11-2-1-3-12-26)18-5-6-19-7-8-20(28(19)17-18)25-13-15-27(16-14-25)22-23-9-4-10-24-22/h4-10,17H,1-3,11-16H2
InChIKeyLQBJEKUSWHPZQA-UHFFFAOYSA-N
XLogP2.68
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]-pyrrolidin-1-ylmethanone
CID 97407571
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
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
(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
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205148
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2479205

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone?
The IUPAC name of piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone (CID 97448108) is piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone?
The canonical SMILES for piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone is O=C(c1ccc2ccc(N3CCN(c4ncccn4)CC3)n2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone?
The InChIKey is LQBJEKUSWHPZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-21(26-11-2-1-3-12-26)18-5-6-19-7-8-20(28(19)17-18)25-13-15-27(16-14-25)22-23-9-4-10-24-22/h4-10,17H,1-3,11-16H2.
What are the key properties of piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone?
piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizin-6-yl]methanone is sourced from PubChem (CID 97448108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).