[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol

C24H28N6O — CID 175756164

IUPAC[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
SMILESCc1[nH]ncc1C=Cc1cnc(N2CCC3(CC2)Cc2ccccc2C3N)c(CO)n1
InChIInChI=1S/C24H28N6O/c1-16-18(13-27-29-16)6-7-19-14-26-23(21(15-31)28-19)30-10-8-24(9-11-30)12-17-4-2-3-5-20(17)22(24)25/h2-7,13-14,22,31H,8-12,15,25H2,1H3,(H,27,29)
InChIKeyZNPIWKSUUSNRQT-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.01
Rot. Bonds4

About [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol

[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol (PubChem CID 175756164) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
PubChem CID175756164
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol
SMILESCc1[nH]ncc1C=Cc1cnc(N2CCC3(CC2)Cc2ccccc2C3N)c(CO)n1
InChIInChI=1S/C24H28N6O/c1-16-18(13-27-29-16)6-7-19-14-26-23(21(15-31)28-19)30-10-8-24(9-11-30)12-17-4-2-3-5-20(17)22(24)25/h2-7,13-14,22,31H,8-12,15,25H2,1H3,(H,27,29)
InChIKeyZNPIWKSUUSNRQT-UHFFFAOYSA-N
XLogP3.01
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol?
The IUPAC name of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol (CID 175756164) is [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol.
What is the SMILES notation for [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol?
The canonical SMILES for [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol is Cc1[nH]ncc1C=Cc1cnc(N2CCC3(CC2)Cc2ccccc2C3N)c(CO)n1.
What is the InChIKey of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol?
The InChIKey is ZNPIWKSUUSNRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-16-18(13-27-29-16)6-7-19-14-26-23(21(15-31)28-19)30-10-8-24(9-11-30)12-17-4-2-3-5-20(17)22(24)25/h2-7,13-14,22,31H,8-12,15,25H2,1H3,(H,27,29).
What are the key properties of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol?
[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol has a molecular weight of 416.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-[2-(5-methyl-1H-pyrazol-4-yl)ethenyl]pyrazin-2-yl]methanol is sourced from PubChem (CID 175756164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).