7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane

C28H32N6O2 — CID 156651586

IUPAC7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
SMILESC1CCOC1.Cc1cccn2c(-c3ccc(Nc4cccc(CN(C)C)n4)c4c3CNC4=O)cnc12
InChIInChI=1S/C24H24N6O.C4H8O/c1-15-6-5-11-30-20(13-25-23(15)30)17-9-10-19(22-18(17)12-26-24(22)31)28-21-8-4-7-16(27-21)14-29(2)3;1-2-4-5-3-1/h4-11,13H,12,14H2,1-3H3,(H,26,31)(H,27,28);1-4H2
InChIKeyXWOLLZIYJVOILY-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.55
Rot. Bonds5

About 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane

7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane (PubChem CID 156651586) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
PubChem CID156651586
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane
SMILESC1CCOC1.Cc1cccn2c(-c3ccc(Nc4cccc(CN(C)C)n4)c4c3CNC4=O)cnc12
InChIInChI=1S/C24H24N6O.C4H8O/c1-15-6-5-11-30-20(13-25-23(15)30)17-9-10-19(22-18(17)12-26-24(22)31)28-21-8-4-7-16(27-21)14-29(2)3;1-2-4-5-3-1/h4-11,13H,12,14H2,1-3H3,(H,26,31)(H,27,28);1-4H2
InChIKeyXWOLLZIYJVOILY-UHFFFAOYSA-N
XLogP4.55
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane (CID 156651586) is 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane is C1CCOC1.Cc1cccn2c(-c3ccc(Nc4cccc(CN(C)C)n4)c4c3CNC4=O)cnc12.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
The InChIKey is XWOLLZIYJVOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O.C4H8O/c1-15-6-5-11-30-20(13-25-23(15)30)17-9-10-19(22-18(17)12-26-24(22)31)28-21-8-4-7-16(27-21)14-29(2)3;1-2-4-5-3-1/h4-11,13H,12,14H2,1-3H3,(H,26,31)(H,27,28);1-4H2.
What are the key properties of 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane?
7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane has a molecular weight of 484.60 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;oxolane is sourced from PubChem (CID 156651586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).