6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine

C25H29F2N5 — CID 156726415

IUPAC6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(C(C)F)c2F)c2cc(N3CCCC4(CCC4)C3)ncc2n1
InChIInChI=1S/C25H29F2N5/c1-16(26)19-7-3-6-18(23(19)27)13-29-24-20-12-22(28-14-21(20)30-17(2)31-24)32-11-5-10-25(15-32)8-4-9-25/h3,6-7,12,14,16H,4-5,8-11,13,15H2,1-2H3,(H,29,30,31)
InChIKeyMYJIESPAZUESIB-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.89
Rot. Bonds5

About 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine

6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 156726415) has the molecular formula C25H29F2N5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID156726415
Molecular FormulaC25H29F2N5
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(C(C)F)c2F)c2cc(N3CCCC4(CCC4)C3)ncc2n1
InChIInChI=1S/C25H29F2N5/c1-16(26)19-7-3-6-18(23(19)27)13-29-24-20-12-22(28-14-21(20)30-17(2)31-24)32-11-5-10-25(15-32)8-4-9-25/h3,6-7,12,14,16H,4-5,8-11,13,15H2,1-2H3,(H,29,30,31)
InChIKeyMYJIESPAZUESIB-UHFFFAOYSA-N
XLogP5.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine (CID 156726415) is 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine is Cc1nc(NCc2cccc(C(C)F)c2F)c2cc(N3CCCC4(CCC4)C3)ncc2n1.
What is the InChIKey of 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is MYJIESPAZUESIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5/c1-16(26)19-7-3-6-18(23(19)27)13-29-24-20-12-22(28-14-21(20)30-17(2)31-24)32-11-5-10-25(15-32)8-4-9-25/h3,6-7,12,14,16H,4-5,8-11,13,15H2,1-2H3,(H,29,30,31).
What are the key properties of 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine?
6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 437.54 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-azaspiro[3.5]nonan-6-yl)-N-[[2-fluoro-3-(1-fluoroethyl)phenyl]methyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 156726415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).