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

C22H23BrCl4N6O — CID 16759178

IUPAC5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C22H19BrN6O.4ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);4*1H
InChIKeyRYPKJORCRITANP-UHFFFAOYSA-N
MW609.18 g/mol
LogP5.62
Rot. Bonds3

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

5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride (PubChem CID 16759178) has the molecular formula C22H23BrCl4N6O and a molecular weight of 609.18 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride
PubChem CID16759178
Molecular FormulaC22H23BrCl4N6O
Molecular Weight609.18 g/mol
Exact Mass605.99
IUPAC Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C22H19BrN6O.4ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);4*1H
InChIKeyRYPKJORCRITANP-UHFFFAOYSA-N
XLogP5.62
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.18
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride?
The IUPAC name of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride (CID 16759178) is 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride.
What is the SMILES notation for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride?
The canonical SMILES for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride is Cl.Cl.Cl.Cl.Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride?
The InChIKey is RYPKJORCRITANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN6O.4ClH/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29;;;;/h1-5,10-13H,6-9H2,(H2,24,26,27,28);4*1H.
What are the key properties of 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride?
5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride has a molecular weight of 609.18 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine;tetrahydrochloride is sourced from PubChem (CID 16759178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).