7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C29H33N7O2 — CID 176618624

About 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 176618624) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 176618624
• Molecular Formula: C29H33N7O2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.27
• IUPAC Name: 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
• SMILES: Cc1ccn2c(-c3ccc(Nc4ccc(N5CCO[C@H](C)C5)c(CN(C)C)n4)c4c3CNC4=O)cnc2c1
• InChI: InChI=1S/C29H33N7O2/c1-18-9-10-36-25(15-30-27(36)13-18)20-5-6-22(28-21(20)14-31-29(28)37)32-26-8-7-24(23(33-26)17-34(3)4)35-11-12-38-19(2)16-35/h5-10,13,15,19H,11-12,14,16-17H2,1-4H3,(H,31,37)(H,32,33)/t19-/m1/s1
• InChIKey: XFHYZQMUTIMYSD-LJQANCHMSA-N
• XLogP: 3.98
• TPSA: 87.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?

The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 176618624) is 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?

The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is Cc1ccn2c(-c3ccc(Nc4ccc(N5CCO[C@H](C)C5)c(CN(C)C)n4)c4c3CNC4=O)cnc2c1.

What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?

The InChIKey is XFHYZQMUTIMYSD-LJQANCHMSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-18-9-10-36-25(15-30-27(36)13-18)20-5-6-22(28-21(20)14-31-29(28)37)32-26-8-7-24(23(33-26)17-34(3)4)35-11-12-38-19(2)16-35/h5-10,13,15,19H,11-12,14,16-17H2,1-4H3,(H,31,37)(H,32,33)/t19-/m1/s1.

What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one?

7-[[6-[(dimethylamino)methyl]-5-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 511.63 g/mol, XLogP of 3.98, 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-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]amino]-4-(7-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 176618624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).