[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol

C22H27ClN6O2 — CID 174160322

IUPAC[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)COC(C)C3N)c(CO)nc1-c1cc2[nH]ncc2cc1Cl
InChIInChI=1S/C22H27ClN6O2/c1-12-19(15-8-17-14(7-16(15)23)9-25-28-17)27-18(10-30)21(26-12)29-5-3-22(4-6-29)11-31-13(2)20(22)24/h7-9,13,20,30H,3-6,10-11,24H2,1-2H3,(H,25,28)
InChIKeyLFZMSFPTDNAOIH-UHFFFAOYSA-N
MW442.95 g/mol
LogP2.81
Rot. Bonds3

About [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol

[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol (PubChem CID 174160322) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol
PubChem CID174160322
Molecular FormulaC22H27ClN6O2
Molecular Weight442.95 g/mol
Exact Mass442.19
IUPAC Name[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)COC(C)C3N)c(CO)nc1-c1cc2[nH]ncc2cc1Cl
InChIInChI=1S/C22H27ClN6O2/c1-12-19(15-8-17-14(7-16(15)23)9-25-28-17)27-18(10-30)21(26-12)29-5-3-22(4-6-29)11-31-13(2)20(22)24/h7-9,13,20,30H,3-6,10-11,24H2,1-2H3,(H,25,28)
InChIKeyLFZMSFPTDNAOIH-UHFFFAOYSA-N
XLogP2.81
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol (CID 174160322) is [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)COC(C)C3N)c(CO)nc1-c1cc2[nH]ncc2cc1Cl.
What is the InChIKey of [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is LFZMSFPTDNAOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O2/c1-12-19(15-8-17-14(7-16(15)23)9-25-28-17)27-18(10-30)21(26-12)29-5-3-22(4-6-29)11-31-13(2)20(22)24/h7-9,13,20,30H,3-6,10-11,24H2,1-2H3,(H,25,28).
What are the key properties of [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol?
[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 442.95 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 174160322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).