8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine

C26H29F2N7 — CID 170686827

IUPAC8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc2cnc(Nc3ccc(N4CC5(CN(C)C5)C4)cc3)nc2c(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C26H29F2N7/c1-17-9-18-10-29-23(32-21(18)22(30-17)34-8-7-25(16-34)11-26(25,27)28)31-19-3-5-20(6-4-19)35-14-24(15-35)12-33(2)13-24/h3-6,9-10H,7-8,11-16H2,1-2H3,(H,29,31,32)
InChIKeyYMCQZWDQEFMYPL-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.06
Rot. Bonds4

About 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine

8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170686827) has the molecular formula C26H29F2N7 and a molecular weight of 477.56 g/mol. Its IUPAC name is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170686827
Molecular FormulaC26H29F2N7
Molecular Weight477.56 g/mol
Exact Mass477.25
IUPAC Name8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc2cnc(Nc3ccc(N4CC5(CN(C)C5)C4)cc3)nc2c(N2CCC3(C2)CC3(F)F)n1
InChIInChI=1S/C26H29F2N7/c1-17-9-18-10-29-23(32-21(18)22(30-17)34-8-7-25(16-34)11-26(25,27)28)31-19-3-5-20(6-4-19)35-14-24(15-35)12-33(2)13-24/h3-6,9-10H,7-8,11-16H2,1-2H3,(H,29,31,32)
InChIKeyYMCQZWDQEFMYPL-UHFFFAOYSA-N
XLogP4.06
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]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)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine (CID 170686827) is 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine is Cc1cc2cnc(Nc3ccc(N4CC5(CN(C)C5)C4)cc3)nc2c(N2CCC3(C2)CC3(F)F)n1.
What is the InChIKey of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is YMCQZWDQEFMYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7/c1-17-9-18-10-29-23(32-21(18)22(30-17)34-8-7-25(16-34)11-26(25,27)28)31-19-3-5-20(6-4-19)35-14-24(15-35)12-33(2)13-24/h3-6,9-10H,7-8,11-16H2,1-2H3,(H,29,31,32).
What are the key properties of 8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine?
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 477.56 g/mol, XLogP of 4.06, 4 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)-6-methyl-N-[4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)phenyl]pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170686827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).