[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol

C18H23N5O — CID 147870270

IUPAC[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
SMILESNc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1
InChIInChI=1S/C18H23N5O/c19-15-10-21-14(11-24)17(22-15)23-7-5-18(6-8-23)9-12-3-1-2-4-13(12)16(18)20/h1-4,10,16,24H,5-9,11,20H2,(H2,19,22)/t16-/m1/s1
InChIKeyHYLZOZBHQNJEBP-MRXNPFEDSA-N
MW325.42 g/mol
LogP1.39
Rot. Bonds2

About [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol

[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol (PubChem CID 147870270) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
PubChem CID147870270
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol
SMILESNc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1
InChIInChI=1S/C18H23N5O/c19-15-10-21-14(11-24)17(22-15)23-7-5-18(6-8-23)9-12-3-1-2-4-13(12)16(18)20/h1-4,10,16,24H,5-9,11,20H2,(H2,19,22)/t16-/m1/s1
InChIKeyHYLZOZBHQNJEBP-MRXNPFEDSA-N
XLogP1.39
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The IUPAC name of [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol (CID 147870270) is [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol is Nc1cnc(CO)c(N2CCC3(CC2)Cc2ccccc2[C@H]3N)n1.
What is the InChIKey of [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
The InChIKey is HYLZOZBHQNJEBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N5O/c19-15-10-21-14(11-24)17(22-15)23-7-5-18(6-8-23)9-12-3-1-2-4-13(12)16(18)20/h1-4,10,16,24H,5-9,11,20H2,(H2,19,22)/t16-/m1/s1.
What are the key properties of [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol?
[5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol has a molecular weight of 325.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 147870270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).