(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C26H24Cl2FN5 — CID 146466925

About (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146466925) has the molecular formula C26H24Cl2FN5 and a molecular weight of 496.42 g/mol. Its IUPAC name is (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 146466925
• Molecular Formula: C26H24Cl2FN5
• Molecular Weight: 496.42 g/mol
• Exact Mass: 495.14
• IUPAC Name: (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C26H24Cl2FN5/c1-15-21(19-3-2-4-20(27)22(19)28)24-31-9-12-34(24)25(32-15)33-10-7-26(8-11-33)14-16-13-17(29)5-6-18(16)23(26)30/h2-6,9,12-13,23H,7-8,10-11,14,30H2,1H3/t23-/m1/s1
• InChIKey: GBVPDOVPTJXYQU-HSZRJFAPSA-N
• XLogP: 5.99
• TPSA: 59.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.42
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146466925) is (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1nc(N2CCC3(CC2)Cc2cc(F)ccc2[C@H]3N)n2ccnc2c1-c1cccc(Cl)c1Cl.

What is the InChIKey of (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is GBVPDOVPTJXYQU-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24Cl2FN5/c1-15-21(19-3-2-4-20(27)22(19)28)24-31-9-12-34(24)25(32-15)33-10-7-26(8-11-33)14-16-13-17(29)5-6-18(16)23(26)30/h2-6,9,12-13,23H,7-8,10-11,14,30H2,1H3/t23-/m1/s1.

What are the key properties of (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 496.42 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146466925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).