1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol

C28H29FN6O2 — CID 167295689

About 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol

1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol (PubChem CID 167295689) has the molecular formula C28H29FN6O2 and a molecular weight of 500.58 g/mol. Its IUPAC name is 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol.

Molecular Properties

• Compound Name: 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol
• PubChem CID: 167295689
• Molecular Formula: C28H29FN6O2
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.23
• IUPAC Name: 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol
• SMILES: OC1CN(Cc2nc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3CNC4)ccc2[C@H]2CCOC2)C1
• InChI: InChI=1S/C28H29FN6O2/c29-18-5-7-35-26(12-31-28(35)9-18)21-1-3-24(23-11-30-10-22(21)23)32-27-4-2-20(17-6-8-37-16-17)25(33-27)15-34-13-19(36)14-34/h1-5,7,9,12,17,19,30,36H,6,8,10-11,13-16H2,(H,32,33)/t17-/m0/s1
• InChIKey: KDLZKWKGTATXMV-KRWDZBQOSA-N
• XLogP: 3.56
• TPSA: 86.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol?

The IUPAC name of 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol (CID 167295689) is 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol.

What is the SMILES notation for 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol?

The canonical SMILES for 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol is OC1CN(Cc2nc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3CNC4)ccc2[C@H]2CCOC2)C1.

What is the InChIKey of 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol?

The InChIKey is KDLZKWKGTATXMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H29FN6O2/c29-18-5-7-35-26(12-31-28(35)9-18)21-1-3-24(23-11-30-10-22(21)23)32-27-4-2-20(17-6-8-37-16-17)25(33-27)15-34-13-19(36)14-34/h1-5,7,9,12,17,19,30,36H,6,8,10-11,13-16H2,(H,32,33)/t17-/m0/s1.

What are the key properties of 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol?

1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol has a molecular weight of 500.58 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-isoindol-4-yl]amino]-3-[(3R)-oxolan-3-yl]-2-pyridinyl]methyl]azetidin-3-ol is sourced from PubChem (CID 167295689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).