5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C25H23BrN6O2 — CID 57015629

IUPAC5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(-c3ccccc3Br)c12
InChIInChI=1S/C25H23BrN6O2/c26-19-4-2-1-3-17(19)18-13-20(31-24-22(18)23(27)29-15-30-24)16-5-6-21(28-14-16)32-9-7-25(8-10-32)33-11-12-34-25/h1-6,13-15H,7-12H2,(H2,27,29,30,31)
InChIKeyGLVBIGAVWGEJSE-UHFFFAOYSA-N
MW519.40 g/mol
LogP4.44
Rot. Bonds3

About 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57015629) has the molecular formula C25H23BrN6O2 and a molecular weight of 519.40 g/mol. Its IUPAC name is 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57015629
Molecular FormulaC25H23BrN6O2
Molecular Weight519.40 g/mol
Exact Mass518.11
IUPAC Name5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(-c3ccccc3Br)c12
InChIInChI=1S/C25H23BrN6O2/c26-19-4-2-1-3-17(19)18-13-20(31-24-22(18)23(27)29-15-30-24)16-5-6-21(28-14-16)32-9-7-25(8-10-32)33-11-12-34-25/h1-6,13-15H,7-12H2,(H2,27,29,30,31)
InChIKeyGLVBIGAVWGEJSE-UHFFFAOYSA-N
XLogP4.44
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 57015629) is 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(-c3ccccc3Br)c12.
What is the InChIKey of 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GLVBIGAVWGEJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN6O2/c26-19-4-2-1-3-17(19)18-13-20(31-24-22(18)23(27)29-15-30-24)16-5-6-21(28-14-16)32-9-7-25(8-10-32)33-11-12-34-25/h1-6,13-15H,7-12H2,(H2,27,29,30,31).
What are the key properties of 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 519.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57015629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).