3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

C21H25F2N7O — CID 135230847

IUPAC3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc(N)ccc1-c1[nH]nc2nc(N3CCC4(CC3)CCC(F)(F)C4)n(C)c(=O)c12
InChIInChI=1S/C21H25F2N7O/c1-12-13(3-4-14(24)25-12)16-15-17(28-27-16)26-19(29(2)18(15)31)30-9-7-20(8-10-30)5-6-21(22,23)11-20/h3-4H,5-11H2,1-2H3,(H2,24,25)(H,27,28)
InChIKeyVXVNGJQQONWXLN-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.02
Rot. Bonds2

About 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135230847) has the molecular formula C21H25F2N7O and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135230847
Molecular FormulaC21H25F2N7O
Molecular Weight429.48 g/mol
Exact Mass429.21
IUPAC Name3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCc1nc(N)ccc1-c1[nH]nc2nc(N3CCC4(CC3)CCC(F)(F)C4)n(C)c(=O)c12
InChIInChI=1S/C21H25F2N7O/c1-12-13(3-4-14(24)25-12)16-15-17(28-27-16)26-19(29(2)18(15)31)30-9-7-20(8-10-30)5-6-21(22,23)11-20/h3-4H,5-11H2,1-2H3,(H2,24,25)(H,27,28)
InChIKeyVXVNGJQQONWXLN-UHFFFAOYSA-N
XLogP3.02
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(6-amino-2-methyl-3-pyridinyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147824
6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)pyridin-3-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215921
N-(1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl)-6-(trifluoromethyl)nicotinamide
CID 91631940
6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 138026612
[2-fluoro-3-(trifluoromethyl)phenyl]-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]methyl]piperazin-1-yl]methanone
CID 11662631
N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 48507833
5-phenyl-3-(3,3,3-trifluoropropyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 68947273
7-[2-[ethyl(methyl)amino]pyridin-3-yl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-4-one
CID 86298830
N-[N'-(2,2-dimethylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 88534821
(3-amino-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-4-(1-pyrrolidin-1-ylethenyl)piperidin-1-yl]methanone
CID 89793488
5-(3,5-difluorophenyl)-1,7-dimethyl-2H-pyrazolo[4,3-f][2,7]naphthyridin-6-one
CID 89949936
N-[6-[3-amino-5-(2,6-difluorophenyl)-4-oxo-1H-pyrazolo[4,5-c]pyridin-7-yl]pyrimidin-4-yl]acetamide
CID 117769768

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 135230847) is 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is Cc1nc(N)ccc1-c1[nH]nc2nc(N3CCC4(CC3)CCC(F)(F)C4)n(C)c(=O)c12.
What is the InChIKey of 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is VXVNGJQQONWXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N7O/c1-12-13(3-4-14(24)25-12)16-15-17(28-27-16)26-19(29(2)18(15)31)30-9-7-20(8-10-30)5-6-21(22,23)11-20/h3-4H,5-11H2,1-2H3,(H2,24,25)(H,27,28).
What are the key properties of 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 429.48 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-methyl-3-pyridinyl)-6-(3,3-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135230847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).