5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C24H23BrN6O — CID 10435708

IUPAC5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12
InChIInChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)
InChIKeyHHWKPCVJLZMIDJ-UHFFFAOYSA-N
MW491.39 g/mol
LogP4.42
Rot. Bonds4

About 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10435708) has the molecular formula C24H23BrN6O and a molecular weight of 491.39 g/mol. Its IUPAC name is 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10435708
Molecular FormulaC24H23BrN6O
Molecular Weight491.39 g/mol
Exact Mass490.11
IUPAC Name5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCC(c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12
InChIInChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30)
InChIKeyHHWKPCVJLZMIDJ-UHFFFAOYSA-N
XLogP4.42
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 10435708) is 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is CC(c1ccccc1Br)c1cc(-c2ccc(N3CCOCC3)nc2)nc2ncnc(N)c12.
What is the InChIKey of 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HHWKPCVJLZMIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN6O/c1-15(17-4-2-3-5-19(17)25)18-12-20(30-24-22(18)23(26)28-14-29-24)16-6-7-21(27-13-16)31-8-10-32-11-9-31/h2-7,12-15H,8-11H2,1H3,(H2,26,28,29,30).
What are the key properties of 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 491.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-bromophenyl)ethyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10435708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).