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

C20H23F2N7O — CID 138593648

IUPAC6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC3(CC2)CC(F)(F)CC3N)nc2n[nH]c(-c3ccncc3)c2c1=O
InChIInChI=1S/C20H23F2N7O/c1-28-17(30)14-15(12-2-6-24-7-3-12)26-27-16(14)25-18(28)29-8-4-19(5-9-29)11-20(21,22)10-13(19)23/h2-3,6-7,13H,4-5,8-11,23H2,1H3,(H,26,27)
InChIKeyLRWZAZARRKEWBK-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.06
Rot. Bonds2

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

6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 138593648) has the molecular formula C20H23F2N7O and a molecular weight of 415.45 g/mol. Its IUPAC name is 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID138593648
Molecular FormulaC20H23F2N7O
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Name6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCn1c(N2CCC3(CC2)CC(F)(F)CC3N)nc2n[nH]c(-c3ccncc3)c2c1=O
InChIInChI=1S/C20H23F2N7O/c1-28-17(30)14-15(12-2-6-24-7-3-12)26-27-16(14)25-18(28)29-8-4-19(5-9-29)11-20(21,22)10-13(19)23/h2-3,6-7,13H,4-5,8-11,23H2,1H3,(H,26,27)
InChIKeyLRWZAZARRKEWBK-UHFFFAOYSA-N
XLogP2.06
TPSA105.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(11R,15S)-5-anilino-8-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,4,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-7-one
CID 11989102
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124147927
6-(4-Amino-4-methylpiperidin-1-yl)-3-(3-chloro-4-pyridinyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168276911
6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichloro-4-pyridinyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168292427
6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)pyridin-3-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137215921
US10399961, Example 14
CID 129103441
(R)-5-(4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-1H-pyrrole-3-carboxamide
CID 135985523
N,N-dimethyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
CID 135985534
N-methyl-5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
CID 136337837
2-[5-Methyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049207
N-{1-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidin-3-YL}-6-methylpyridine-3-carboxamide
CID 91904827
N-{1-[3-(4-Fluorophenyl)-1H-pyrazol-5-YL]piperidin-3-YL}pyridine-4-carboxamide
CID 91914553

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 138593648) is 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one is Cn1c(N2CCC3(CC2)CC(F)(F)CC3N)nc2n[nH]c(-c3ccncc3)c2c1=O.
What is the InChIKey of 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is LRWZAZARRKEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O/c1-28-17(30)14-15(12-2-6-24-7-3-12)26-27-16(14)25-18(28)29-8-4-19(5-9-29)11-20(21,22)10-13(19)23/h2-3,6-7,13H,4-5,8-11,23H2,1H3,(H,26,27).
What are the key properties of 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one?
6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 415.45 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2,2-difluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 138593648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).