(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone

C22H25N5O2 — CID 141186265

IUPAC(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
SMILESCOc1ncc(-n2ccc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc32)cn1
InChIInChI=1S/C22H25N5O2/c1-29-22-23-14-19(15-24-22)27-8-7-16-13-17(5-6-20(16)27)21(28)26-11-9-25(10-12-26)18-3-2-4-18/h5-8,13-15,18H,2-4,9-12H2,1H3
InChIKeyZKJIDZWQOAXOIG-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.74
Rot. Bonds4

About (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone (PubChem CID 141186265) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
PubChem CID141186265
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone
SMILESCOc1ncc(-n2ccc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc32)cn1
InChIInChI=1S/C22H25N5O2/c1-29-22-23-14-19(15-24-22)27-8-7-16-13-17(5-6-20(16)27)21(28)26-11-9-25(10-12-26)18-3-2-4-18/h5-8,13-15,18H,2-4,9-12H2,1H3
InChIKeyZKJIDZWQOAXOIG-UHFFFAOYSA-N
XLogP2.74
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-methyl-3-pyridinyl)indol-5-yl]-[3-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71231955
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
phenyl-[4-[1-(1-pyridin-4-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840026
1-methyl-6-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]quinolin-2-one
CID 50840864
phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-[1-[1-(5-chloro-2-pyridinyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66771958
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
CID 66840110
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 162670595

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone (CID 141186265) is (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone is COc1ncc(-n2ccc3cc(C(=O)N4CCN(C5CCC5)CC4)ccc32)cn1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone?
The InChIKey is ZKJIDZWQOAXOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-22-23-14-19(15-24-22)27-8-7-16-13-17(5-6-20(16)27)21(28)26-11-9-25(10-12-26)18-3-2-4-18/h5-8,13-15,18H,2-4,9-12H2,1H3.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[1-(2-methoxypyrimidin-5-yl)indol-5-yl]methanone is sourced from PubChem (CID 141186265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).