7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one

C24H25N5O — CID 164927049

IUPAC7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
SMILESCN1CCN(c2ccc(Nc3ccc(-c4ccccc4)c4c3C(=O)NC4)nc2)CC1
InChIInChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)18-7-10-22(25-15-18)27-21-9-8-19(17-5-3-2-4-6-17)20-16-26-24(30)23(20)21/h2-10,15H,11-14,16H2,1H3,(H,25,27)(H,26,30)
InChIKeyJYXCYRCWSFLEPD-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.49
Rot. Bonds4

About 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one

7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one (PubChem CID 164927049) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
PubChem CID164927049
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
SMILESCN1CCN(c2ccc(Nc3ccc(-c4ccccc4)c4c3C(=O)NC4)nc2)CC1
InChIInChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)18-7-10-22(25-15-18)27-21-9-8-19(17-5-3-2-4-6-17)20-16-26-24(30)23(20)21/h2-10,15H,11-14,16H2,1H3,(H,25,27)(H,26,30)
InChIKeyJYXCYRCWSFLEPD-UHFFFAOYSA-N
XLogP3.49
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 164926878
7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-pyridinyl]-2,3-dihydroisoindol-1-one
CID 164926614
ethane;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-2,3-dihydroisoindol-1-one
CID 156652075
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one
CID 164926538
4-(2,3-dimethylimidazol-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one
CID 164927100
4-phenyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926630
4-methylsulfinyl-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926873
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-morpholin-4-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one;N-methylmethanamine
CID 156652343
ethane;1-oxo-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxamide
CID 164926987
4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(5-piperidin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651725
7-[[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[(5R)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one;7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-[(5S)-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]-2,3-dihydroisoindol-1-one
CID 158384947

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one (CID 164927049) is 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one is CN1CCN(c2ccc(Nc3ccc(-c4ccccc4)c4c3C(=O)NC4)nc2)CC1.
What is the InChIKey of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one?
The InChIKey is JYXCYRCWSFLEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-11-13-29(14-12-28)18-7-10-22(25-15-18)27-21-9-8-19(17-5-3-2-4-6-17)20-16-26-24(30)23(20)21/h2-10,15H,11-14,16H2,1H3,(H,25,27)(H,26,30).
What are the key properties of 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one?
7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one has a molecular weight of 399.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164927049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).