6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one

C23H24N4O3 — CID 129160221

About 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one

6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one (PubChem CID 129160221) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

• Compound Name: 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one
• PubChem CID: 129160221
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one
• SMILES: COc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccc3n(c2=O)CCC3)nc1
• InChI: InChI=1S/C23H24N4O3/c1-14-24-12-20(18-7-5-16-4-3-9-27(16)23(18)28)22(26-14)30-13-15-10-19(15)21-8-6-17(29-2)11-25-21/h5-8,11-12,15,19H,3-4,9-10,13H2,1-2H3/t15-,19?/m1/s1
• InChIKey: UXTZZXHRKBWDCF-NYRJJRHWSA-N
• XLogP: 3.15
• TPSA: 79.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one?

The IUPAC name of 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one (CID 129160221) is 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one.

What is the SMILES notation for 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one?

The canonical SMILES for 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one is COc1ccc(C2C[C@@H]2COc2nc(C)ncc2-c2ccc3n(c2=O)CCC3)nc1.

What is the InChIKey of 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one?

The InChIKey is UXTZZXHRKBWDCF-NYRJJRHWSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-24-12-20(18-7-5-16-4-3-9-27(16)23(18)28)22(26-14)30-13-15-10-19(15)21-8-6-17(29-2)11-25-21/h5-8,11-12,15,19H,3-4,9-10,13H2,1-2H3/t15-,19?/m1/s1.

What are the key properties of 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one?

6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 404.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 129160221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).