7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one

C31H33N7O3 — CID 176836966

About 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one

7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 176836966) has the molecular formula C31H33N7O3 and a molecular weight of 551.65 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 176836966
• Molecular Formula: C31H33N7O3
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.26
• IUPAC Name: 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one
• SMILES: CN(C)Cc1nc(Nc2ccc(-c3cnn4ccc5c(c34)CCO5)c3c2C(=O)NC3)ccc1C1CCN(C)C(=O)C1
• InChI: InChI=1S/C31H33N7O3/c1-36(2)17-25-19(18-8-11-37(3)28(39)14-18)5-7-27(35-25)34-24-6-4-20(22-15-32-31(40)29(22)24)23-16-33-38-12-9-26-21(30(23)38)10-13-41-26/h4-7,9,12,16,18H,8,10-11,13-15,17H2,1-3H3,(H,32,40)(H,34,35)
• InChIKey: QLTUAWFRFYDTKX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 104.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one?

The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one (CID 176836966) is 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one?

The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnn4ccc5c(c34)CCO5)c3c2C(=O)NC3)ccc1C1CCN(C)C(=O)C1.

What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one?

The InChIKey is QLTUAWFRFYDTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N7O3/c1-36(2)17-25-19(18-8-11-37(3)28(39)14-18)5-7-27(35-25)34-24-6-4-20(22-15-32-31(40)29(22)24)23-16-33-38-12-9-26-21(30(23)38)10-13-41-26/h4-7,9,12,16,18H,8,10-11,13-15,17H2,1-3H3,(H,32,40)(H,34,35).

What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one?

7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 551.65 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[6-[(dimethylamino)methyl]-5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 176836966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).