[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

C25H22F2N4O2 — CID 118659763

IUPAC[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3c(F)cccc3F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H22F2N4O2/c26-19-2-1-3-20(27)22(19)17-13-28-24(29-14-17)31-15-25(6-7-25)18-5-4-16(12-21(18)31)23(32)30-8-10-33-11-9-30/h1-5,12-14H,6-11,15H2
InChIKeyZBOSWAFZAXYNKP-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.08
Rot. Bonds3

About [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone

[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659763) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659763
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3c(F)cccc3F)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H22F2N4O2/c26-19-2-1-3-20(27)22(19)17-13-28-24(29-14-17)31-15-25(6-7-25)18-5-4-16(12-21(18)31)23(32)30-8-10-33-11-9-30/h1-5,12-14H,6-11,15H2
InChIKeyZBOSWAFZAXYNKP-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659763) is [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)N(c1ncc(-c3c(F)cccc3F)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is ZBOSWAFZAXYNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-19-2-1-3-20(27)22(19)17-13-28-24(29-14-17)31-15-25(6-7-25)18-5-4-16(12-21(18)31)23(32)30-8-10-33-11-9-30/h1-5,12-14H,6-11,15H2.
What are the key properties of [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone has a molecular weight of 448.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).