8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine

C21H21F2N7 — CID 171362264

IUPAC8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)nc2C1
InChIInChI=1S/C21H21F2N7/c1-29-9-14-2-3-16(26-15(14)10-29)27-19-25-8-13-4-6-24-18(17(13)28-19)30-7-5-20(12-30)11-21(20,22)23/h2-4,6,8H,5,7,9-12H2,1H3,(H,25,26,27,28)
InChIKeyMZSICXZSAUQPBY-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.34
Rot. Bonds3

About 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 171362264) has the molecular formula C21H21F2N7 and a molecular weight of 409.44 g/mol. Its IUPAC name is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID171362264
Molecular FormulaC21H21F2N7
Molecular Weight409.44 g/mol
Exact Mass409.18
IUPAC Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)nc2C1
InChIInChI=1S/C21H21F2N7/c1-29-9-14-2-3-16(26-15(14)10-29)27-19-25-8-13-4-6-24-18(17(13)28-19)30-7-5-20(12-30)11-21(20,22)23/h2-4,6,8H,5,7,9-12H2,1H3,(H,25,26,27,28)
InChIKeyMZSICXZSAUQPBY-UHFFFAOYSA-N
XLogP3.34
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[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-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-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-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 171362264) is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-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-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-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-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine is CN1Cc2ccc(Nc3ncc4ccnc(N5CCC6(C5)CC6(F)F)c4n3)nc2C1.
What is the InChIKey of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is MZSICXZSAUQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7/c1-29-9-14-2-3-16(26-15(14)10-29)27-19-25-8-13-4-6-24-18(17(13)28-19)30-7-5-20(12-30)11-21(20,22)23/h2-4,6,8H,5,7,9-12H2,1H3,(H,25,26,27,28).
What are the key properties of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine?
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 409.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(6-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 171362264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).