[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol

C22H30ClN5O — CID 156687252

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCCc1nccc(-c2nc(CO)c(N3CCC4(CCC[C@H]4N)CC3)nc2C)c1Cl
InChIInChI=1S/C22H30ClN5O/c1-3-16-19(23)15(6-10-25-16)20-14(2)26-21(17(13-29)27-20)28-11-8-22(9-12-28)7-4-5-18(22)24/h6,10,18,29H,3-5,7-9,11-13,24H2,1-2H3/t18-/m1/s1
InChIKeyDHDUGOLFJVDKNK-GOSISDBHSA-N
MW415.97 g/mol
LogP3.65
Rot. Bonds4

About [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 156687252) has the molecular formula C22H30ClN5O and a molecular weight of 415.97 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
PubChem CID156687252
Molecular FormulaC22H30ClN5O
Molecular Weight415.97 g/mol
Exact Mass415.21
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCCc1nccc(-c2nc(CO)c(N3CCC4(CCC[C@H]4N)CC3)nc2C)c1Cl
InChIInChI=1S/C22H30ClN5O/c1-3-16-19(23)15(6-10-25-16)20-14(2)26-21(17(13-29)27-20)28-11-8-22(9-12-28)7-4-5-18(22)24/h6,10,18,29H,3-5,7-9,11-13,24H2,1-2H3/t18-/m1/s1
InChIKeyDHDUGOLFJVDKNK-GOSISDBHSA-N
XLogP3.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.97
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
CID 139309485
[6-(2,3-dichloro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 159997828
[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-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
CID 155231285
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-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 139309246
[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
4-[5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-3-chloropyridine-2-carbonitrile
CID 155401141
[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
CID 149232735
[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
4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dichlorophenol
CID 139309356
[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-methylphenyl)-5-methylpyrazin-2-yl]methanol
CID 134182825

Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [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) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol is CCc1nccc(-c2nc(CO)c(N3CCC4(CCC[C@H]4N)CC3)nc2C)c1Cl.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is DHDUGOLFJVDKNK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30ClN5O/c1-3-16-19(23)15(6-10-25-16)20-14(2)26-21(17(13-29)27-20)28-11-8-22(9-12-28)7-4-5-18(22)24/h6,10,18,29H,3-5,7-9,11-13,24H2,1-2H3/t18-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 415.97 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 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-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 156687252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).