[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol

C23H31N5O — CID 139309355

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C23H31N5O/c1-15-21(17-5-4-16-6-10-25-18(16)13-17)27-19(14-29)22(26-15)28-11-8-23(9-12-28)7-2-3-20(23)24/h4-5,13,20,25,29H,2-3,6-12,14,24H2,1H3/t20-/m1/s1
InChIKeyYCGIOUZHVPOEKD-HXUWFJFHSA-N
MW393.54 g/mol
LogP3.01
Rot. Bonds3

About [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol (PubChem CID 139309355) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol
PubChem CID139309355
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccc2c(c1)NCC2
InChIInChI=1S/C23H31N5O/c1-15-21(17-5-4-16-6-10-25-18(16)13-17)27-19(14-29)22(26-15)28-11-8-23(9-12-28)7-2-3-20(23)24/h4-5,13,20,25,29H,2-3,6-12,14,24H2,1H3/t20-/m1/s1
InChIKeyYCGIOUZHVPOEKD-HXUWFJFHSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
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-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol (CID 139309355) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccc2c(c1)NCC2.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is YCGIOUZHVPOEKD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N5O/c1-15-21(17-5-4-16-6-10-25-18(16)13-17)27-19(14-29)22(26-15)28-11-8-23(9-12-28)7-2-3-20(23)24/h4-5,13,20,25,29H,2-3,6-12,14,24H2,1H3/t20-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 393.54 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 139309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).