8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine

C20H22F2N8 — CID 170686843

IUPAC8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1CCn2nc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)cc2C1
InChIInChI=1S/C20H22F2N8/c1-28-6-7-30-14(10-28)8-15(27-30)25-18-24-9-13-2-4-23-17(16(13)26-18)29-5-3-19(12-29)11-20(19,21)22/h2,4,8-9H,3,5-7,10-12H2,1H3,(H,24,25,26,27)
InChIKeyVLGZWEMRNMOTLP-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.65
Rot. Bonds3

About 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170686843) has the molecular formula C20H22F2N8 and a molecular weight of 412.45 g/mol. Its IUPAC name is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170686843
Molecular FormulaC20H22F2N8
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1CCn2nc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)cc2C1
InChIInChI=1S/C20H22F2N8/c1-28-6-7-30-14(10-28)8-15(27-30)25-18-24-9-13-2-4-23-17(16(13)26-18)29-5-3-19(12-29)11-20(19,21)22/h2,4,8-9H,3,5-7,10-12H2,1H3,(H,24,25,26,27)
InChIKeyVLGZWEMRNMOTLP-UHFFFAOYSA-N
XLogP2.65
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 170686843) is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine is CN1CCn2nc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)cc2C1.
What is the InChIKey of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is VLGZWEMRNMOTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N8/c1-28-6-7-30-14(10-28)8-15(27-30)25-18-24-9-13-2-4-23-17(16(13)26-18)29-5-3-19(12-29)11-20(19,21)22/h2,4,8-9H,3,5-7,10-12H2,1H3,(H,24,25,26,27).
What are the key properties of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine?
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 412.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170686843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).