[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol

C26H28N6O — CID 155401093

IUPAC[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C26H28N6O/c1-16-23(17-6-7-21-19(12-17)14-28-31-21)30-22(15-33)25(29-16)32-10-8-26(9-11-32)13-18-4-2-3-5-20(18)24(26)27/h2-7,12,14,24,33H,8-11,13,15,27H2,1H3,(H,28,31)/t24-/m1/s1
InChIKeyDUOXRWUOSIJNHZ-XMMPIXPASA-N
MW440.55 g/mol
LogP3.66
Rot. Bonds3

About [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol

[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol (PubChem CID 155401093) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol
PubChem CID155401093
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)nc1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C26H28N6O/c1-16-23(17-6-7-21-19(12-17)14-28-31-21)30-22(15-33)25(29-16)32-10-8-26(9-11-32)13-18-4-2-3-5-20(18)24(26)27/h2-7,12,14,24,33H,8-11,13,15,27H2,1H3,(H,28,31)/t24-/m1/s1
InChIKeyDUOXRWUOSIJNHZ-XMMPIXPASA-N
XLogP3.66
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol (CID 155401093) is [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(CO)nc1-c1ccc2[nH]ncc2c1.
What is the InChIKey of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is DUOXRWUOSIJNHZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H28N6O/c1-16-23(17-6-7-21-19(12-17)14-28-31-21)30-22(15-33)25(29-16)32-10-8-26(9-11-32)13-18-4-2-3-5-20(18)24(26)27/h2-7,12,14,24,33H,8-11,13,15,27H2,1H3,(H,28,31)/t24-/m1/s1.
What are the key properties of [3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol?
[3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 440.55 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 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-(1H-indazol-5-yl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 155401093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).