[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone

C22H27N5O2 — CID 86818532

IUPAC[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone
SMILESCCCn1c(C(=O)N2CCN(c3nccc(OCC)n3)CC2)cc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-3-11-27-18-8-6-5-7-17(18)16-19(27)21(28)25-12-14-26(15-13-25)22-23-10-9-20(24-22)29-4-2/h5-10,16H,3-4,11-15H2,1-2H3
InChIKeyNGGDBTRQOAQWKH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.20
Rot. Bonds6

About [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone

[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone (PubChem CID 86818532) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone
PubChem CID86818532
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone
SMILESCCCn1c(C(=O)N2CCN(c3nccc(OCC)n3)CC2)cc2ccccc21
InChIInChI=1S/C22H27N5O2/c1-3-11-27-18-8-6-5-7-17(18)16-19(27)21(28)25-12-14-26(15-13-25)22-23-10-9-20(24-22)29-4-2/h5-10,16H,3-4,11-15H2,1-2H3
InChIKeyNGGDBTRQOAQWKH-UHFFFAOYSA-N
XLogP3.20
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86905430
2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzaldehyde
CID 87801234
4-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile;hydrochloride
CID 10156226
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
(3-ethoxynaphthalen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17458593
3-[[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]amino]propanoic acid
CID 122017762
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
CID 10982482
ethane;[4-[3-(methylamino)-2-pyridinyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 91005889
[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 99806782

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone?
The IUPAC name of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone (CID 86818532) is [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone.
What is the SMILES notation for [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone?
The canonical SMILES for [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone is CCCn1c(C(=O)N2CCN(c3nccc(OCC)n3)CC2)cc2ccccc21.
What is the InChIKey of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone?
The InChIKey is NGGDBTRQOAQWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-11-27-18-8-6-5-7-17(18)16-19(27)21(28)25-12-14-26(15-13-25)22-23-10-9-20(24-22)29-4-2/h5-10,16H,3-4,11-15H2,1-2H3.
What are the key properties of [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone?
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1-propylindol-2-yl)methanone is sourced from PubChem (CID 86818532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).