MPQZOHSLKBCGNU-UHFFFAOYSA-N

C₂₄H₂₆F₂N₈O₂ — CID 59239119

About MPQZOHSLKBCGNU-UHFFFAOYSA-N

MPQZOHSLKBCGNU-UHFFFAOYSA-N (PubChem CID 59239119) has the molecular formula C₂₄H₂₆F₂N₈O₂ and a molecular weight of 496.52 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: MPQZOHSLKBCGNU-UHFFFAOYSA-N
• PubChem CID: 59239119
• Molecular Formula: C₂₄H₂₆F₂N₈O₂
• Molecular Weight: 496.52 g/mol
• Exact Mass: 496.21
• IUPAC Name: 1-(2,2-difluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
• SMILES: O=C(NCC(F)F)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1
• InChI: InChI=1S/C24H26F2N8O2/c25-20(26)14-29-24(35)30-17-4-2-16(3-5-17)21-31-19-15-34(23-27-7-1-8-28-23)9-6-18(19)22(32-21)33-10-12-36-13-11-33/h1-5,7-8,20H,6,9-15H2,(H2,29,30,35)
• InChIKey: MPQZOHSLKBCGNU-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 108.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.52
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of MPQZOHSLKBCGNU-UHFFFAOYSA-N?

The IUPAC name of MPQZOHSLKBCGNU-UHFFFAOYSA-N (CID 59239119) is 1-(2,2-difluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.

What is the SMILES notation for MPQZOHSLKBCGNU-UHFFFAOYSA-N?

The canonical SMILES for MPQZOHSLKBCGNU-UHFFFAOYSA-N is O=C(NCC(F)F)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1.

What is the InChIKey of MPQZOHSLKBCGNU-UHFFFAOYSA-N?

The InChIKey is MPQZOHSLKBCGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O2/c25-20(26)14-29-24(35)30-17-4-2-16(3-5-17)21-31-19-15-34(23-27-7-1-8-28-23)9-6-18(19)22(32-21)33-10-12-36-13-11-33/h1-5,7-8,20H,6,9-15H2,(H2,29,30,35).

What are the key properties of MPQZOHSLKBCGNU-UHFFFAOYSA-N?

MPQZOHSLKBCGNU-UHFFFAOYSA-N has a molecular weight of 496.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for MPQZOHSLKBCGNU-UHFFFAOYSA-N is sourced from PubChem (CID 59239119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59239119 — identifiers, structure, computed properties (public domain)

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