2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone

C50H47ClF2N8O4 — CID 162030069

About 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone

2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone (PubChem CID 162030069) has the molecular formula C50H47ClF2N8O4 and a molecular weight of 897.43 g/mol. Its IUPAC name is 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone.

Molecular Properties

• Compound Name: 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone
• PubChem CID: 162030069
• Molecular Formula: C50H47ClF2N8O4
• Molecular Weight: 897.43 g/mol
• Exact Mass: 896.34
• IUPAC Name: 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone
• SMILES: Fc1ccccc1-c1cnc(Cl)nc1.O=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCOCC1.O=C(c1ccc2c(c1)NCC21CC1)N1CCOCC1
• InChI: InChI=1S/C25H23FN4O2.C15H18N2O2.C10H6ClFN2/c26-21-4-2-1-3-19(21)18-14-27-24(28-15-18)30-16-25(7-8-25)20-6-5-17(13-22(20)30)23(31)29-9-11-32-12-10-29;18-14(17-5-7-19-8-6-17)11-1-2-12-13(9-11)16-10-15(12)3-4-15;11-10-13-5-7(6-14-10)8-3-1-2-4-9(8)12/h1-6,13-15H,7-12,16H2;1-2,9,16H,3-8,10H2;1-6H
• InChIKey: YVXAYKYOLIHJRK-UHFFFAOYSA-N
• XLogP: 8.49
• TPSA: 125.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.43
LogP ≤ 5	8.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone?

The IUPAC name of 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone (CID 162030069) is 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone.

What is the SMILES notation for 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone?

The canonical SMILES for 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone is Fc1ccccc1-c1cnc(Cl)nc1.O=C(c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1)N1CCOCC1.O=C(c1ccc2c(c1)NCC21CC1)N1CCOCC1.

What is the InChIKey of 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone?

The InChIKey is YVXAYKYOLIHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2.C15H18N2O2.C10H6ClFN2/c26-21-4-2-1-3-19(21)18-14-27-24(28-15-18)30-16-25(7-8-25)20-6-5-17(13-22(20)30)23(31)29-9-11-32-12-10-29;18-14(17-5-7-19-8-6-17)11-1-2-12-13(9-11)16-10-15(12)3-4-15;11-10-13-5-7(6-14-10)8-3-1-2-4-9(8)12/h1-6,13-15H,7-12,16H2;1-2,9,16H,3-8,10H2;1-6H.

What are the key properties of 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone?

2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone has a molecular weight of 897.43 g/mol, XLogP of 8.49, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(2-fluorophenyl)pyrimidine;[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone;morpholin-4-yl(spiro[1,2-dihydroindole-3,1'-cyclopropane]-6-yl)methanone is sourced from PubChem (CID 162030069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).