[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone

C25H24FN5O2 — CID 138403791

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(n1)N(c1ncc(-c3ccccc3F)cn1)CC21CCC1)N1CCOCC1
InChIInChI=1S/C25H24FN5O2/c26-20-5-2-1-4-18(20)17-14-27-24(28-15-17)31-16-25(8-3-9-25)19-6-7-21(29-22(19)31)23(32)30-10-12-33-13-11-30/h1-2,4-7,14-15H,3,8-13,16H2
InChIKeyVMXNMFFMLODZNR-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.72
Rot. Bonds3

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 138403791) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone
PubChem CID138403791
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(n1)N(c1ncc(-c3ccccc3F)cn1)CC21CCC1)N1CCOCC1
InChIInChI=1S/C25H24FN5O2/c26-20-5-2-1-4-18(20)17-14-27-24(28-15-17)31-16-25(8-3-9-25)19-6-7-21(29-22(19)31)23(32)30-10-12-33-13-11-30/h1-2,4-7,14-15H,3,8-13,16H2
InChIKeyVMXNMFFMLODZNR-UHFFFAOYSA-N
XLogP3.72
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone (CID 138403791) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(n1)N(c1ncc(-c3ccccc3F)cn1)CC21CCC1)N1CCOCC1.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is VMXNMFFMLODZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-20-5-2-1-4-18(20)17-14-27-24(28-15-17)31-16-25(8-3-9-25)19-6-7-21(29-22(19)31)23(32)30-10-12-33-13-11-30/h1-2,4-7,14-15H,3,8-13,16H2.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 445.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-pyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 138403791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).