7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

C29H31FN6O3 — CID 167458653

About 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one

7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 167458653) has the molecular formula C29H31FN6O3 and a molecular weight of 530.60 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
• PubChem CID: 167458653
• Molecular Formula: C29H31FN6O3
• Molecular Weight: 530.60 g/mol
• Exact Mass: 530.24
• IUPAC Name: 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one
• SMILES: CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1COC1CCOCC1
• InChI: InChI=1S/C29H31FN6O3/c1-35(2)16-24-18(17-39-20-8-11-38-12-9-20)3-6-26(34-24)33-23-5-4-21(22-14-32-29(37)28(22)23)25-15-31-27-13-19(30)7-10-36(25)27/h3-7,10,13,15,20H,8-9,11-12,14,16-17H2,1-2H3,(H,32,37)(H,33,34)
• InChIKey: IBQIZPOFWUIPIP-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 93.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.60
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one (CID 167458653) is 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one.

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

The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is CN(C)Cc1nc(Nc2ccc(-c3cnc4cc(F)ccn34)c3c2C(=O)NC3)ccc1COC1CCOCC1.

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

The InChIKey is IBQIZPOFWUIPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN6O3/c1-35(2)16-24-18(17-39-20-8-11-38-12-9-20)3-6-26(34-24)33-23-5-4-21(22-14-32-29(37)28(22)23)25-15-31-27-13-19(30)7-10-36(25)27/h3-7,10,13,15,20H,8-9,11-12,14,16-17H2,1-2H3,(H,32,37)(H,33,34).

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

7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 530.60 g/mol, XLogP of 4.28, 8 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-(oxan-4-yloxymethyl)-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 167458653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).