6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C26H32N4O — CID 175822886

IUPAC6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(C1=NN[C@@H](C)C1)c1ccccc1N1CCC2(CC1)Cc1ccc(OC)cc1C2N
InChIInChI=1S/C26H32N4O/c1-17-14-23(29-28-17)18(2)21-6-4-5-7-24(21)30-12-10-26(11-13-30)16-19-8-9-20(31-3)15-22(19)25(26)27/h4-9,15,17,25,28H,2,10-14,16,27H2,1,3H3/t17-,25?/m0/s1
InChIKeyUBMATTBISGBSAP-LFUZPPSTSA-N
MW416.57 g/mol
LogP4.29
Rot. Bonds4

About 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 175822886) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID175822886
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESC=C(C1=NN[C@@H](C)C1)c1ccccc1N1CCC2(CC1)Cc1ccc(OC)cc1C2N
InChIInChI=1S/C26H32N4O/c1-17-14-23(29-28-17)18(2)21-6-4-5-7-24(21)30-12-10-26(11-13-30)16-19-8-9-20(31-3)15-22(19)25(26)27/h4-9,15,17,25,28H,2,10-14,16,27H2,1,3H3/t17-,25?/m0/s1
InChIKeyUBMATTBISGBSAP-LFUZPPSTSA-N
XLogP4.29
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 175822886) is 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is C=C(C1=NN[C@@H](C)C1)c1ccccc1N1CCC2(CC1)Cc1ccc(OC)cc1C2N.
What is the InChIKey of 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is UBMATTBISGBSAP-LFUZPPSTSA-N. The full InChI is InChI=1S/C26H32N4O/c1-17-14-23(29-28-17)18(2)21-6-4-5-7-24(21)30-12-10-26(11-13-30)16-19-8-9-20(31-3)15-22(19)25(26)27/h4-9,15,17,25,28H,2,10-14,16,27H2,1,3H3/t17-,25?/m0/s1.
What are the key properties of 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 416.57 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[2-[1-[(5S)-5-methyl-4,5-dihydro-1H-pyrazol-3-yl]ethenyl]phenyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 175822886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).