[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone

C₂₇H₂₆FN₅O₃ — CID 118662711

About [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone

[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662711) has the molecular formula C₂₇H₂₆FN₅O₃ and a molecular weight of 487.54 g/mol. Its IUPAC name is [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
• PubChem CID: 118662711
• Molecular Formula: C₂₇H₂₆FN₅O₃
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.20
• IUPAC Name: [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
• SMILES: CC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
• InChI: InChI=1S/C27H26FN5O3/c1-16(34)18-5-7-23(28)22(12-18)20-14-29-27(30-15-20)33-24-13-19(26(35)32-8-10-36-11-9-32)4-6-21(24)25(31-33)17-2-3-17/h4-7,12-17,34H,2-3,8-11H2,1H3
• InChIKey: GOXWCWKIRIKVGI-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?

The IUPAC name of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone (CID 118662711) is [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone is CC(O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.

What is the InChIKey of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?

The InChIKey is GOXWCWKIRIKVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-16(34)18-5-7-23(28)22(12-18)20-14-29-27(30-15-20)33-24-13-19(26(35)32-8-10-36-11-9-32)4-6-21(24)25(31-33)17-2-3-17/h4-7,12-17,34H,2-3,8-11H2,1H3.

What are the key properties of [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?

[3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 487.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-cyclopropyl-1-[5-[2-fluoro-5-(1-hydroxyethyl)phenyl]pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118662711 — identifiers, structure, computed properties (public domain)

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