[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol

C22H27ClN6O2S — CID 135257301

IUPAC[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c2cc(CO)nn2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H27ClN6O2S/c1-13-10-22(12-31-13)4-7-28(8-5-22)20-16-9-15(11-30)27-29(16)21(14(2)26-20)32-17-3-6-25-19(24)18(17)23/h3,6,9,13,30H,4-5,7-8,10-12H2,1-2H3,(H2,24,25)/t13-/m0/s1
InChIKeyUDACPIDTHIXELT-ZDUSSCGKSA-N
MW475.02 g/mol
LogP3.71
Rot. Bonds4

About [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol

[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 135257301) has the molecular formula C22H27ClN6O2S and a molecular weight of 475.02 g/mol. Its IUPAC name is [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID135257301
Molecular FormulaC22H27ClN6O2S
Molecular Weight475.02 g/mol
Exact Mass474.16
IUPAC Name[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c2cc(CO)nn2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C22H27ClN6O2S/c1-13-10-22(12-31-13)4-7-28(8-5-22)20-16-9-15(11-30)27-29(16)21(14(2)26-20)32-17-3-6-25-19(24)18(17)23/h3,6,9,13,30H,4-5,7-8,10-12H2,1-2H3,(H2,24,25)/t13-/m0/s1
InChIKeyUDACPIDTHIXELT-ZDUSSCGKSA-N
XLogP3.71
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.02
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 166736113
potassium;2-amino-3-chloropyridine-4-thiolate;[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-4-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]methanol;ethyl 7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;ethyl 7-bromo-6-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazine-2-carboxylate;methane
CID 160653210
(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 153313134
8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135242043
N'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanimidamide
CID 135257097
(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135257073
[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
(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135257086
[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-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-[[3-chloro-2-[3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl]-4-pyridinyl]sulfanyl]-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 166915043
(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

Frequently Asked Questions

What is the IUPAC name of [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 135257301) is [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c2cc(CO)nn2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is UDACPIDTHIXELT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H27ClN6O2S/c1-13-10-22(12-31-13)4-7-28(8-5-22)20-16-9-15(11-30)27-29(16)21(14(2)26-20)32-17-3-6-25-19(24)18(17)23/h3,6,9,13,30H,4-5,7-8,10-12H2,1-2H3,(H2,24,25)/t13-/m0/s1.
What are the key properties of [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 475.02 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-4-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 135257301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).