4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine

C23H21N7 — CID 175343477

IUPAC4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine
SMILESCn1cc(-c2ccc3c(c2)CN(c2nccc(/C=C/c4ccnc(N)c4)n2)C3)cn1
InChIInChI=1S/C23H21N7/c1-29-13-20(12-27-29)17-3-4-18-14-30(15-19(18)11-17)23-26-9-7-21(28-23)5-2-16-6-8-25-22(24)10-16/h2-13H,14-15H2,1H3,(H2,24,25)/b5-2+
InChIKeyGFTIJGNFDFTDIU-GORDUTHDSA-N
MW395.47 g/mol
LogP3.54
Rot. Bonds4

About 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine

4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine (PubChem CID 175343477) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine
PubChem CID175343477
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine
SMILESCn1cc(-c2ccc3c(c2)CN(c2nccc(/C=C/c4ccnc(N)c4)n2)C3)cn1
InChIInChI=1S/C23H21N7/c1-29-13-20(12-27-29)17-3-4-18-14-30(15-19(18)11-17)23-26-9-7-21(28-23)5-2-16-6-8-25-22(24)10-16/h2-13H,14-15H2,1H3,(H2,24,25)/b5-2+
InChIKeyGFTIJGNFDFTDIU-GORDUTHDSA-N
XLogP3.54
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(E)-2-[2-[2-(5-bromo-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine
CID 150772964
5-methoxy-2-[4-[(E)-2-[3-(1H-pyrazol-4-yl)phenyl]ethenyl]pyrimidin-2-yl]-1,3-dihydroisoindole
CID 164519459
5-chloro-2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindole
CID 152579967
5-bromo-2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindole
CID 151685990
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
4-(2-amino-4-pyridinyl)but-3-enenitrile
CID 170799120
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941
methyl 2-[[2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl]oxy]acetate;1-[[2-[4-[4-[(E)-2-pyridin-4-ylethenyl]pyrimidin-2-yl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl]oxy]butan-2-one
CID 159792177
4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine
CID 176675924
ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate
CID 170959416
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine?
The IUPAC name of 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine (CID 175343477) is 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine.
What is the SMILES notation for 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine?
The canonical SMILES for 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine is Cn1cc(-c2ccc3c(c2)CN(c2nccc(/C=C/c4ccnc(N)c4)n2)C3)cn1.
What is the InChIKey of 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine?
The InChIKey is GFTIJGNFDFTDIU-GORDUTHDSA-N. The full InChI is InChI=1S/C23H21N7/c1-29-13-20(12-27-29)17-3-4-18-14-30(15-19(18)11-17)23-26-9-7-21(28-23)5-2-16-6-8-25-22(24)10-16/h2-13H,14-15H2,1H3,(H2,24,25)/b5-2+.
What are the key properties of 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine?
4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine has a molecular weight of 395.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2-[5-(1-methylpyrazol-4-yl)-1,3-dihydroisoindol-2-yl]pyrimidin-4-yl]ethenyl]pyridin-2-amine is sourced from PubChem (CID 175343477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).