(3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane

C22H24ClFN4O — CID 142403852

IUPAC(3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c2cncn2c1-c1cccc(Cl)c1F
InChIInChI=1S/C22H24ClFN4O/c1-14-10-22(12-29-14)6-8-27(9-7-22)21-18-11-25-13-28(18)20(15(2)26-21)16-4-3-5-17(23)19(16)24/h3-5,11,13-14H,6-10,12H2,1-2H3/t14-/m0/s1
InChIKeyXFYWQQVWMSFEQQ-AWEZNQCLSA-N
MW414.91 g/mol
LogP4.89
Rot. Bonds2

About (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane

(3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 142403852) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID142403852
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name(3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c2cncn2c1-c1cccc(Cl)c1F
InChIInChI=1S/C22H24ClFN4O/c1-14-10-22(12-29-14)6-8-27(9-7-22)21-18-11-25-13-28(18)20(15(2)26-21)16-4-3-5-17(23)19(16)24/h3-5,11,13-14H,6-10,12H2,1-2H3/t14-/m0/s1
InChIKeyXFYWQQVWMSFEQQ-AWEZNQCLSA-N
XLogP4.89
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 153313122
(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
5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
CID 170128356
[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
6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 145210047
[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
3-(1-chloronaphthalen-2-yl)-2,5-dimethyl-6-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 155709861
1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
CID 168944224
[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
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
(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
(3S,4S)-8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 160926288

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane (CID 142403852) is (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane is Cc1nc(N2CCC3(CC2)CO[C@@H](C)C3)c2cncn2c1-c1cccc(Cl)c1F.
What is the InChIKey of (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is XFYWQQVWMSFEQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-14-10-22(12-29-14)6-8-27(9-7-22)21-18-11-25-13-28(18)20(15(2)26-21)16-4-3-5-17(23)19(16)24/h3-5,11,13-14H,6-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane?
(3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 414.91 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[5-(3-chloro-2-fluorophenyl)-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 142403852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).