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

C23H29N5OS — CID 139309309

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1Sc1ccc2cc[nH]c2c1
InChIInChI=1S/C23H29N5OS/c1-15-22(30-17-5-4-16-6-10-25-18(16)13-17)27-19(14-29)21(26-15)28-11-8-23(9-12-28)7-2-3-20(23)24/h4-6,10,13,20,25,29H,2-3,7-9,11-12,14,24H2,1H3/t20-/m1/s1
InChIKeyOKZNKQZPPBZDJJ-HXUWFJFHSA-N
MW423.59 g/mol
LogP4.01
Rot. Bonds4

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

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 139309309) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol
PubChem CID139309309
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1Sc1ccc2cc[nH]c2c1
InChIInChI=1S/C23H29N5OS/c1-15-22(30-17-5-4-16-6-10-25-18(16)13-17)27-19(14-29)21(26-15)28-11-8-23(9-12-28)7-2-3-20(23)24/h4-6,10,13,20,25,29H,2-3,7-9,11-12,14,24H2,1H3/t20-/m1/s1
InChIKeyOKZNKQZPPBZDJJ-HXUWFJFHSA-N
XLogP4.01
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 138735042
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
CID 139309485
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 156687252
[3-[(2R,4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazin-2-yl]methanol
CID 139309380
7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one
CID 148573209
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]-5-methylpyrazin-2-yl]methanol
CID 134183074
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(3S,4S)-4-amino-3-iodo-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazin-2-yl]methanol
CID 155323383
[3-(4-aminospiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-1'-yl)-6-[2-(difluoromethyl)pyrazol-3-yl]sulfanyl-5-methylpyrazin-2-yl]methanol
CID 170272503
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]methanol
CID 162492945
[6-(2,3-dichlorophenyl)sulfanyl-3-(4-ethyl-4-methylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
CID 139309758
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
CID 155231285

Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol (CID 139309309) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1Sc1ccc2cc[nH]c2c1.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is OKZNKQZPPBZDJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-15-22(30-17-5-4-16-6-10-25-18(16)13-17)27-19(14-29)21(26-15)28-11-8-23(9-12-28)7-2-3-20(23)24/h4-6,10,13,20,25,29H,2-3,7-9,11-12,14,24H2,1H3/t20-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 423.59 g/mol, XLogP of 4.01, 4 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-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 139309309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).