[6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol

C24H32ClN3O3 — CID 139309975

IUPAC[6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c(CO)nc1-c1cccc(OC(C)C)c1Cl
InChIInChI=1S/C24H32ClN3O3/c1-15(2)31-20-7-5-6-18(21(20)25)22-17(4)26-23(19(13-29)27-22)28-10-8-24(9-11-28)12-16(3)30-14-24/h5-7,15-16,29H,8-14H2,1-4H3/t16-/m0/s1
InChIKeyREDPZMFZFYVIJM-INIZCTEOSA-N
MW445.99 g/mol
LogP4.78
Rot. Bonds5

About [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol

[6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (PubChem CID 139309975) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
PubChem CID139309975
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC Name[6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c(CO)nc1-c1cccc(OC(C)C)c1Cl
InChIInChI=1S/C24H32ClN3O3/c1-15(2)31-20-7-5-6-18(21(20)25)22-17(4)26-23(19(13-29)27-22)28-10-8-24(9-11-28)12-16(3)30-14-24/h5-7,15-16,29H,8-14H2,1-4H3/t16-/m0/s1
InChIKeyREDPZMFZFYVIJM-INIZCTEOSA-N
XLogP4.78
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol with MolForge

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Related Compounds

3-chloro-4-[6-(hydroxymethyl)-3-methyl-5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]pyridine-2-carbonitrile
CID 155323393
[6-(4-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 139309872
[6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazin-2-yl]methanol
CID 152847395
[1-[3-chloro-4-[6-(hydroxymethyl)-3-methyl-5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-pyridinyl]azetidin-3-yl]methyl-oxosulfanium
CID 174134898
4-(aminomethyl)-1-[5-(2,3-dichlorophenyl)-3-(hydroxymethyl)-6-methylpyrazin-2-yl]piperidin-4-ol
CID 139309361
[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-methylphenyl)-5-methylpyrazin-2-yl]methanol
CID 134182825
[6-(2,3-dichlorophenyl)-5-methyl-3-[(4S)-4-methyl-2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 161030014
(3S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 170128548
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
[5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-spiro[2,4-dihydropyrido[3,2-b][1,4]oxazine-3,1'-cyclopentane]-8-ylsulfanylpyrazin-2-yl]methanol
CID 166990099
3,4-dichloro-2-[6-(hydroxymethyl)-5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]phenol
CID 138553091
(3S)-8-[8-(2-chloro-3-methoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 155447996

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (CID 139309975) is [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c(CO)nc1-c1cccc(OC(C)C)c1Cl.
What is the InChIKey of [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The InChIKey is REDPZMFZFYVIJM-INIZCTEOSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-15(2)31-20-7-5-6-18(21(20)25)22-17(4)26-23(19(13-29)27-22)28-10-8-24(9-11-28)12-16(3)30-14-24/h5-7,15-16,29H,8-14H2,1-4H3/t16-/m0/s1.
What are the key properties of [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
[6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol has a molecular weight of 445.99 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chloro-3-propan-2-yloxyphenyl)-5-methyl-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 139309975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).