4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one

C26H25FN6O2 — CID 156163519

IUPAC4-(7-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCC1=C(C=CN2C1=NC=C2C3=C4CNC(=O)C4=C(C=C3)NC5=NC=C(C=C5)N6CCC(CC6)O)F
InChIInChI=1S/C26H25FN6O2/c1-15-20(27)8-11-33-22(14-29-25(15)33)18-3-4-21(24-19(18)13-30-26(24)35)31-23-5-2-16(12-28-23)32-9-6-17(34)7-10-32/h2-5,8,11-12,14,17,34H,6-7,9-10,13H2,1H3,(H,28,31)(H,30,35)
InChIKeyFIDPXRUSSFITBL-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.10
Rot. Bonds4

About 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one

4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one (PubChem CID 156163519) has the molecular formula C26H25FN6O2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 4-(7-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one
PubChem CID156163519
Molecular FormulaC26H25FN6O2
Molecular Weight472.50 g/mol
Exact Mass472.20
IUPAC Name4-(7-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
SMILESCC1=C(C=CN2C1=NC=C2C3=C4CNC(=O)C4=C(C=C3)NC5=NC=C(C=C5)N6CCC(CC6)O)F
InChIInChI=1S/C26H25FN6O2/c1-15-20(27)8-11-33-22(14-29-25(15)33)18-3-4-21(24-19(18)13-30-26(24)35)31-23-5-2-16(12-28-23)32-9-6-17(34)7-10-32/h2-5,8,11-12,14,17,34H,6-7,9-10,13H2,1H3,(H,28,31)(H,30,35)
InChIKeyFIDPXRUSSFITBL-UHFFFAOYSA-N
XLogP4.10
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity766

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one?
The IUPAC name of 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one (CID 156163519) is 4-(7-fluoro-8-methylimidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one?
The canonical SMILES for 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one is CC1=C(C=CN2C1=NC=C2C3=C4CNC(=O)C4=C(C=C3)NC5=NC=C(C=C5)N6CCC(CC6)O)F.
What is the InChIKey of 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one?
The InChIKey is FIDPXRUSSFITBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-15-20(27)8-11-33-22(14-29-25(15)33)18-3-4-21(24-19(18)13-30-26(24)35)31-23-5-2-16(12-28-23)32-9-6-17(34)7-10-32/h2-5,8,11-12,14,17,34H,6-7,9-10,13H2,1H3,(H,28,31)(H,30,35).
What are the key properties of 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one?
4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one has a molecular weight of 472.50 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-Fluoro-8-methyl-imidazo[1,2-a]pyridin-3-yl)-7-[[5-(4-hydroxy-1-piperidyl)-2-pyridyl]amino] isoindolin-1-one is sourced from PubChem (CID 156163519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).