6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

C22H30N8O2 — CID 153336826

IUPAC6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1OCC2(CCN(c3nc4[nH]nc(N5CCC6=C5CCC=N6)c4c(=O)n3C)CC2)[C@@H]1N
InChIInChI=1S/C22H30N8O2/c1-13-17(23)22(12-32-13)6-10-29(11-7-22)21-25-18-16(20(31)28(21)2)19(27-26-18)30-9-5-14-15(30)4-3-8-24-14/h8,13,17H,3-7,9-12,23H2,1-2H3,(H,26,27)/t13-,17+/m0/s1
InChIKeyVTJFCIFWBUMIKW-SUMWQHHRSA-N
MW438.54 g/mol
LogP1.28
Rot. Bonds2

About 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 153336826) has the molecular formula C22H30N8O2 and a molecular weight of 438.54 g/mol. Its IUPAC name is 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID153336826
Molecular FormulaC22H30N8O2
Molecular Weight438.54 g/mol
Exact Mass438.25
IUPAC Name6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H]1OCC2(CCN(c3nc4[nH]nc(N5CCC6=C5CCC=N6)c4c(=O)n3C)CC2)[C@@H]1N
InChIInChI=1S/C22H30N8O2/c1-13-17(23)22(12-32-13)6-10-29(11-7-22)21-25-18-16(20(31)28(21)2)19(27-26-18)30-9-5-14-15(30)4-3-8-24-14/h8,13,17H,3-7,9-12,23H2,1-2H3,(H,26,27)/t13-,17+/m0/s1
InChIKeyVTJFCIFWBUMIKW-SUMWQHHRSA-N
XLogP1.28
TPSA117.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one 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

6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-methylsulfanylphenyl)pyrimidin-4-one
CID 159276312
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-chloro-2-methylindazol-5-yl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146307861
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-pyridin-4-yl-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 159251342
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-3-methylphenyl)sulfanyl-3-methylpyrimidin-4-one
CID 159098812
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(3-aminophenyl)-3-methyl-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 158152234
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-chloro-2-methylindazol-5-yl)sulfanyl-3-methylpyrimidin-4-one
CID 156776780
(3S,4S)-8-[3-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366294
N-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-quinolin-5-yl]methanesulfonamide
CID 135388909
2-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]acetic acid;hydrochloride
CID 135388867
3-[(8S)-5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-8-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-1,2,4-oxadiazolidin-5-one
CID 167845101
(3S,4S)-3-methyl-8-[3-(5-nitro-3,4-dihydro-2H-quinolin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366391
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[1-(4-isocyanophenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168807602

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one (CID 153336826) is 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H]1OCC2(CCN(c3nc4[nH]nc(N5CCC6=C5CCC=N6)c4c(=O)n3C)CC2)[C@@H]1N.
What is the InChIKey of 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VTJFCIFWBUMIKW-SUMWQHHRSA-N. The full InChI is InChI=1S/C22H30N8O2/c1-13-17(23)22(12-32-13)6-10-29(11-7-22)21-25-18-16(20(31)28(21)2)19(27-26-18)30-9-5-14-15(30)4-3-8-24-14/h8,13,17H,3-7,9-12,23H2,1-2H3,(H,26,27)/t13-,17+/m0/s1.
What are the key properties of 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 438.54 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-(2,3,6,7-tetrahydropyrrolo[3,2-b]pyridin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 153336826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).