[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol

C27H31N5O — CID 150817302

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCCc4ccccc43)nc1CO)CC2
InChIInChI=1S/C27H31N5O/c28-25-21-9-3-1-7-20(21)16-27(25)11-14-31(15-12-27)26-22(18-33)30-24(17-29-26)32-13-5-8-19-6-2-4-10-23(19)32/h1-4,6-7,9-10,17,25,33H,5,8,11-16,18,28H2/t25-/m1/s1
InChIKeyKJDYCSUZYVYIHC-RUZDIDTESA-N
MW441.58 g/mol
LogP3.90
Rot. Bonds3

About [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol (PubChem CID 150817302) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol
PubChem CID150817302
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCCc4ccccc43)nc1CO)CC2
InChIInChI=1S/C27H31N5O/c28-25-21-9-3-1-7-20(21)16-27(25)11-14-31(15-12-27)26-22(18-33)30-24(17-29-26)32-13-5-8-19-6-2-4-10-23(19)32/h1-4,6-7,9-10,17,25,33H,5,8,11-16,18,28H2/t25-/m1/s1
InChIKeyKJDYCSUZYVYIHC-RUZDIDTESA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol (CID 150817302) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol is N[C@@H]1c2ccccc2CC12CCN(c1ncc(N3CCCc4ccccc43)nc1CO)CC2.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol?
The InChIKey is KJDYCSUZYVYIHC-RUZDIDTESA-N. The full InChI is InChI=1S/C27H31N5O/c28-25-21-9-3-1-7-20(21)16-27(25)11-14-31(15-12-27)26-22(18-33)30-24(17-29-26)32-13-5-8-19-6-2-4-10-23(19)32/h1-4,6-7,9-10,17,25,33H,5,8,11-16,18,28H2/t25-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol has a molecular weight of 441.58 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 150817302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).