8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine

C23H28F2N8 — CID 170686860

IUPAC8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc2cnc(Nc3cnn(CC4(N(C)C)CC4)c3)nc2c(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C23H28F2N8/c1-15-8-16-9-26-20(29-17-10-27-33(11-17)14-22(4-5-22)31(2)3)30-18(16)19(28-15)32-7-6-21(13-32)12-23(21,24)25/h8-11H,4-7,12-14H2,1-3H3,(H,26,29,30)
InChIKeyVILFMZCEQNTADR-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.60
Rot. Bonds6

About 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170686860) has the molecular formula C23H28F2N8 and a molecular weight of 454.53 g/mol. Its IUPAC name is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine
PubChem CID170686860
Molecular FormulaC23H28F2N8
Molecular Weight454.53 g/mol
Exact Mass454.24
IUPAC Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc2cnc(Nc3cnn(CC4(N(C)C)CC4)c3)nc2c(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C23H28F2N8/c1-15-8-16-9-26-20(29-17-10-27-33(11-17)14-22(4-5-22)31(2)3)30-18(16)19(28-15)32-7-6-21(13-32)12-23(21,24)25/h8-11H,4-7,12-14H2,1-3H3,(H,26,29,30)
InChIKeyVILFMZCEQNTADR-UHFFFAOYSA-N
XLogP3.60
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine (CID 170686860) is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine is Cc1cc2cnc(Nc3cnn(CC4(N(C)C)CC4)c3)nc2c(N2CCC3(C2)CC3(F)F)n1.
What is the InChIKey of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is VILFMZCEQNTADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N8/c1-15-8-16-9-26-20(29-17-10-27-33(11-17)14-22(4-5-22)31(2)3)30-18(16)19(28-15)32-7-6-21(13-32)12-23(21,24)25/h8-11H,4-7,12-14H2,1-3H3,(H,26,29,30).
What are the key properties of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine?
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 454.53 g/mol, XLogP of 3.60, 6 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-[1-[[1-(dimethylamino)cyclopropyl]methyl]pyrazol-4-yl]-6-methylpyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170686860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).