5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole

C22H29N5O — CID 157245094

IUPAC5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
SMILESCCCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1
InChIInChI=1S/C22H29N5O/c1-4-7-26-8-10-27(11-9-26)21-13-20(24-15-25-21)22-19-12-18(28-16(2)3)6-5-17(19)14-23-22/h5-6,12-13,15-16H,4,7-11,14H2,1-3H3
InChIKeyYQVIHEZYSJVWCI-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.15
Rot. Bonds6

About 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole

5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole (PubChem CID 157245094) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
PubChem CID157245094
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
SMILESCCCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1
InChIInChI=1S/C22H29N5O/c1-4-7-26-8-10-27(11-9-26)21-13-20(24-15-25-21)22-19-12-18(28-16(2)3)6-5-17(19)14-23-22/h5-6,12-13,15-16H,4,7-11,14H2,1-3H3
InChIKeyYQVIHEZYSJVWCI-UHFFFAOYSA-N
XLogP3.15
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 157245093
3-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
CID 158756160
(3S,4S)-4-(dimethylamino)-1-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 159726399
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
2-(4-methylidene-2-oxocyclohexyl)-5-[4-[[1-[2-[4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethyl]azetidin-3-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
CID 161424408
N-propan-2-yl-2-[4-[6-(3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)pyrimidin-4-yl]piperazin-1-yl]acetamide
CID 123166073
1-ethyl-4-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]piperazin-2-one
CID 149010035
4-[6-[6-[1-(methoxymethyl)cyclopropyl]oxy-3H-isoindol-1-yl]pyrimidin-4-yl]morpholine
CID 161078113
2-(2,6-dioxopiperidin-3-yl)-5-[2-[2-[2-[(2S)-2-methyl-4-[6-(6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 157287290
3-ethyl-7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157482112
1-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 147379339
2-methyl-8-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 152958855

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?
The IUPAC name of 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole (CID 157245094) is 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole.
What is the SMILES notation for 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?
The canonical SMILES for 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole is CCCN1CCN(c2cc(C3=NCc4ccc(OC(C)C)cc43)ncn2)CC1.
What is the InChIKey of 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?
The InChIKey is YQVIHEZYSJVWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-4-7-26-8-10-27(11-9-26)21-13-20(24-15-25-21)22-19-12-18(28-16(2)3)6-5-17(19)14-23-22/h5-6,12-13,15-16H,4,7-11,14H2,1-3H3.
What are the key properties of 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole?
5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole has a molecular weight of 379.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole is sourced from PubChem (CID 157245094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).