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

C25H29N7O — CID 164926878

IUPAC4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCN1CCN(c2ccc(Nc3ccc(-c4ccnc(N(C)C)c4)c4c3C(=O)NC4)nc2)CC1
InChIInChI=1S/C25H29N7O/c1-30(2)23-14-17(8-9-26-23)19-5-6-21(24-20(19)16-28-25(24)33)29-22-7-4-18(15-27-22)32-12-10-31(3)11-13-32/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,29)(H,28,33)
InChIKeyFSRYBHFEWPMKHM-UHFFFAOYSA-N
MW443.56 g/mol
LogP2.95
Rot. Bonds5

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

4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (PubChem CID 164926878) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
PubChem CID164926878
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCN1CCN(c2ccc(Nc3ccc(-c4ccnc(N(C)C)c4)c4c3C(=O)NC4)nc2)CC1
InChIInChI=1S/C25H29N7O/c1-30(2)23-14-17(8-9-26-23)19-5-6-21(24-20(19)16-28-25(24)33)29-22-7-4-18(15-27-22)32-12-10-31(3)11-13-32/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,29)(H,28,33)
InChIKeyFSRYBHFEWPMKHM-UHFFFAOYSA-N
XLogP2.95
TPSA76.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-phenyl-2,3-dihydroisoindol-1-one
CID 164927049
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
7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyridin-4-yl-2,3-dihydroisoindol-1-one
CID 164926820
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
2-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 175777554
4-(2,3-dimethylimidazol-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydroisoindol-1-one
CID 164927100
4-(2-methyl-4-pyridinyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926724
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
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
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 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one (CID 164926878) is 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is CN1CCN(c2ccc(Nc3ccc(-c4ccnc(N(C)C)c4)c4c3C(=O)NC4)nc2)CC1.
What is the InChIKey of 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
The InChIKey is FSRYBHFEWPMKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-30(2)23-14-17(8-9-26-23)19-5-6-21(24-20(19)16-28-25(24)33)29-22-7-4-18(15-27-22)32-12-10-31(3)11-13-32/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,29)(H,28,33).
What are the key properties of 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one?
4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one has a molecular weight of 443.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-4-pyridinyl]-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 164926878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).