[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone

C24H24F2N4O — CID 155774149

IUPAC[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2[C@H]3N)nn1-c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O/c1-15-12-20(28-30(15)21-7-6-17(25)13-19(21)26)23(31)29-10-8-24(9-11-29)14-16-4-2-3-5-18(16)22(24)27/h2-7,12-13,22H,8-11,14,27H2,1H3/t22-/m1/s1
InChIKeyJVCIVKDHOXJATE-JOCHJYFZSA-N
MW422.48 g/mol
LogP3.94
Rot. Bonds2

About [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone

[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone (PubChem CID 155774149) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone
PubChem CID155774149
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Name[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2[C@H]3N)nn1-c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O/c1-15-12-20(28-30(15)21-7-6-17(25)13-19(21)26)23(31)29-10-8-24(9-11-29)14-16-4-2-3-5-18(16)22(24)27/h2-7,12-13,22H,8-11,14,27H2,1H3/t22-/m1/s1
InChIKeyJVCIVKDHOXJATE-JOCHJYFZSA-N
XLogP3.94
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone?
The IUPAC name of [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone (CID 155774149) is [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone.
What is the SMILES notation for [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone?
The canonical SMILES for [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone is Cc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2[C@H]3N)nn1-c1ccc(F)cc1F.
What is the InChIKey of [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone?
The InChIKey is JVCIVKDHOXJATE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-15-12-20(28-30(15)21-7-6-17(25)13-19(21)26)23(31)29-10-8-24(9-11-29)14-16-4-2-3-5-18(16)22(24)27/h2-7,12-13,22H,8-11,14,27H2,1H3/t22-/m1/s1.
What are the key properties of [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone?
[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone has a molecular weight of 422.48 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]methanone is sourced from PubChem (CID 155774149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).