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

C25H22F2N4O2 — CID 118659808

IUPAC[1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccc(F)c(F)c3)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H22F2N4O2/c26-20-4-2-16(11-21(20)27)18-13-28-24(29-14-18)31-15-25(5-6-25)19-3-1-17(12-22(19)31)23(32)30-7-9-33-10-8-30/h1-4,11-14H,5-10,15H2
InChIKeyPDBXEFIZRCINAS-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.08
Rot. Bonds3

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

[1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (PubChem CID 118659808) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
PubChem CID118659808
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC Name[1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2c(c1)N(c1ncc(-c3ccc(F)c(F)c3)cn1)CC21CC1)N1CCOCC1
InChIInChI=1S/C25H22F2N4O2/c26-20-4-2-16(11-21(20)27)18-13-28-24(29-14-18)31-15-25(5-6-25)19-3-1-17(12-22(19)31)23(32)30-7-9-33-10-8-30/h1-4,11-14H,5-10,15H2
InChIKeyPDBXEFIZRCINAS-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-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone (CID 118659808) is [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2c(c1)N(c1ncc(-c3ccc(F)c(F)c3)cn1)CC21CC1)N1CCOCC1.
What is the InChIKey of [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
The InChIKey is PDBXEFIZRCINAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c26-20-4-2-16(11-21(20)27)18-13-28-24(29-14-18)31-15-25(5-6-25)19-3-1-17(12-22(19)31)23(32)30-7-9-33-10-8-30/h1-4,11-14H,5-10,15H2.
What are the key properties of [1-[5-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone?
[1-[5-(3,4-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-(3,4-difluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118659808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).