5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C24H18BrN7 — CID 70303256

IUPAC5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(NCc4cccnc4)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C24H18BrN7/c25-18-5-1-4-16(9-18)19-10-20(32-24-22(19)23(26)30-14-31-24)17-6-7-21(29-13-17)28-12-15-3-2-8-27-11-15/h1-11,13-14H,12H2,(H,28,29)(H2,26,30,31,32)
InChIKeyHWTBDDGBMYAGNH-UHFFFAOYSA-N
MW484.36 g/mol
LogP5.11
Rot. Bonds5

About 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 70303256) has the molecular formula C24H18BrN7 and a molecular weight of 484.36 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID70303256
Molecular FormulaC24H18BrN7
Molecular Weight484.36 g/mol
Exact Mass483.08
IUPAC Name5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3ccc(NCc4cccnc4)nc3)cc(-c3cccc(Br)c3)c12
InChIInChI=1S/C24H18BrN7/c25-18-5-1-4-16(9-18)19-10-20(32-24-22(19)23(26)30-14-31-24)17-6-7-21(29-13-17)28-12-15-3-2-8-27-11-15/h1-11,13-14H,12H2,(H,28,29)(H2,26,30,31,32)
InChIKeyHWTBDDGBMYAGNH-UHFFFAOYSA-N
XLogP5.11
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.36
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 70303256) is 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(NCc4cccnc4)nc3)cc(-c3cccc(Br)c3)c12.
What is the InChIKey of 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HWTBDDGBMYAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN7/c25-18-5-1-4-16(9-18)19-10-20(32-24-22(19)23(26)30-14-31-24)17-6-7-21(29-13-17)28-12-15-3-2-8-27-11-15/h1-11,13-14H,12H2,(H,28,29)(H2,26,30,31,32).
What are the key properties of 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 484.36 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-[6-(pyridin-3-ylmethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70303256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).