N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide

C24H27N5O4 — CID 146383878

IUPACN-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCOCCN1Cc2ccc(Nc3ncc(OC)c(Oc4cccc(NC(C)=O)c4)n3)cc2C1
InChIInChI=1S/C24H27N5O4/c1-16(30)26-19-5-4-6-21(12-19)33-23-22(32-3)13-25-24(28-23)27-20-8-7-17-14-29(9-10-31-2)15-18(17)11-20/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeySKQIUFGBVCPPJS-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.94
Rot. Bonds9

About N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide

N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 146383878) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID146383878
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCOCCN1Cc2ccc(Nc3ncc(OC)c(Oc4cccc(NC(C)=O)c4)n3)cc2C1
InChIInChI=1S/C24H27N5O4/c1-16(30)26-19-5-4-6-21(12-19)33-23-22(32-3)13-25-24(28-23)27-20-8-7-17-14-29(9-10-31-2)15-18(17)11-20/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeySKQIUFGBVCPPJS-UHFFFAOYSA-N
XLogP3.94
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide (CID 146383878) is N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide is COCCN1Cc2ccc(Nc3ncc(OC)c(Oc4cccc(NC(C)=O)c4)n3)cc2C1.
What is the InChIKey of N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is SKQIUFGBVCPPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-16(30)26-19-5-4-6-21(12-19)33-23-22(32-3)13-25-24(28-23)27-20-8-7-17-14-29(9-10-31-2)15-18(17)11-20/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide?
N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-methoxy-2-[[2-(2-methoxyethyl)-1,3-dihydroisoindol-5-yl]amino]pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 146383878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).