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

C22H27N5O — CID 157245093

IUPAC3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
SMILESCC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C4CC4)CC3)ncn1)=NC2
InChIInChI=1S/C22H27N5O/c1-15(2)28-18-6-3-16-13-23-22(19(16)11-18)20-12-21(25-14-24-20)27-9-7-26(8-10-27)17-4-5-17/h3,6,11-12,14-15,17H,4-5,7-10,13H2,1-2H3
InChIKeyCYRVNUUFOYGSJZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.90
Rot. Bonds5

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

3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole (PubChem CID 157245093) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole.

Molecular Properties

Compound Name3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
PubChem CID157245093
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole
SMILESCC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C4CC4)CC3)ncn1)=NC2
InChIInChI=1S/C22H27N5O/c1-15(2)28-18-6-3-16-13-23-22(19(16)11-18)20-12-21(25-14-24-20)27-9-7-26(8-10-27)17-4-5-17/h3,6,11-12,14-15,17H,4-5,7-10,13H2,1-2H3
InChIKeyCYRVNUUFOYGSJZ-UHFFFAOYSA-N
XLogP2.90
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-propan-2-yloxy-3-[6-(4-propylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 157245094
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
2-[6-[6-(1-methylcyclopropyl)oxy-3H-isoindol-1-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 158121251
5-(1-methylcyclopropyl)oxy-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1H-isoindole
CID 147980565
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
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
8-[6-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123289473
3-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-isoindole
CID 159514532
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
The IUPAC name of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole (CID 157245093) is 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole.
What is the SMILES notation for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
The canonical SMILES for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole is CC(C)Oc1ccc2c(c1)C(c1cc(N3CCN(C4CC4)CC3)ncn1)=NC2.
What is the InChIKey of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
The InChIKey is CYRVNUUFOYGSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)28-18-6-3-16-13-23-22(19(16)11-18)20-12-21(25-14-24-20)27-9-7-26(8-10-27)17-4-5-17/h3,6,11-12,14-15,17H,4-5,7-10,13H2,1-2H3.
What are the key properties of 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole?
3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole has a molecular weight of 377.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-cyclopropylpiperazin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-isoindole is sourced from PubChem (CID 157245093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).